| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-06-03 11:48:06 UTC |
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| Update Date | 2016-11-09 01:23:04 UTC |
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| Accession Number | CHEM044146 |
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| Identification |
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| Common Name | dimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silyl tetradecanoate |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| Dimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silyl tetradecanoic acid | Generator |
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| Chemical Formula | C22H37F9O2Si |
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| Average Molecular Mass | 532.607 g/mol |
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| Monoisotopic Mass | 532.242 g/mol |
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| CAS Registry Number | 94094-26-5 |
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| IUPAC Name | dimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silyl tetradecanoate |
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| Traditional Name | dimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silyl tetradecanoate |
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| SMILES | CCCCCCCCCCCCCC(=O)O[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
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| InChI Identifier | InChI=1S/C22H37F9O2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(32)33-34(2,3)17-16-19(23,24)20(25,26)21(27,28)22(29,30)31/h4-17H2,1-3H3 |
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| InChI Key | KWPORPWLIDWPJT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as trialkylheterosilanes. These are organoheterosilanes, bearing a silicon atom linked to three alkyl groups and one heteroatom. |
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| Kingdom | Organic compounds |
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| Super Class | Organometallic compounds |
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| Class | Organometalloid compounds |
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| Sub Class | Organosilicon compounds |
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| Direct Parent | Trialkylheterosilanes |
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| Alternative Parents | |
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| Substituents | - Trialkylheterosilane
- Carboxylic acid salt
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Organic metalloid salt
- Alkyl fluoride
- Organic salt
- Organooxygen compound
- Organofluoride
- Organohalogen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Alkyl halide
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0159-0411190000-95a8dd8bbd059a63d717 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03xr-2892010000-a6a64237dfd0170dfb2b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-014i-1900000000-0aa945847cace373b918 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-015i-0491040000-72dc96f614ef49839374 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-053i-2190000000-69a7656b80dc375e261b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0ldi-5893000000-90913648c7b68301af6f | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | Not Available |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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