Record Information |
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Version | 1.0 |
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Creation Date | 2016-06-03 11:53:18 UTC |
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Update Date | 2016-11-09 01:23:05 UTC |
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Accession Number | CHEM044216 |
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Identification |
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Common Name | 2,2,4,4,6,6,8-heptamethyl-8-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane |
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Class | Small Molecule |
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Description | |
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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 | Not Available |
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Chemical Formula | C13H26O4Si4 |
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Average Molecular Mass | 358.687 g/mol |
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Monoisotopic Mass | 358.091 g/mol |
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CAS Registry Number | 10448-09-6 |
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IUPAC Name | 2,2,4,4,6,6,8-heptamethyl-8-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane |
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Traditional Name | 2,2,4,4,6,6,8-heptamethyl-8-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane |
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SMILES | C[Si]1(C)O[Si](C)(C)O[Si](C)(O[Si](C)(C)O1)C1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C13H26O4Si4/c1-18(2)14-19(3,4)16-21(7,17-20(5,6)15-18)13-11-9-8-10-12-13/h8-12H,1-7H3 |
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InChI Key | NSLNFHKUIKHPGY-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as alkylarylsilanes. These are organosilicon compounds with the general formula R[Si]R' (R = alkyl, R' = aryl). |
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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 | Alkylarylsilanes |
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Alternative Parents | |
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Substituents | - Alkylarylsilane
- Benzenoid
- Monocyclic benzene moiety
- Organoheterosilane
- Organic metalloid salt
- Organic oxygen compound
- Hydrocarbon derivative
- Organic salt
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic 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 | splash10-0a4i-0009000000-ae085c897088b49698cb | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-069c-5943000000-3e5da6453e79cd68e5e2 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9853000000-2b52f83770835c2e5022 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4l-0029000000-1822c2a587a28cdb3239 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a6r-9367000000-614ce749fb7ef6fb8d50 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-f025c460c4de150c3d65 | 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 | 25287 |
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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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