| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-06-03 11:53:10 UTC |
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| Update Date | 2016-11-09 01:23:05 UTC |
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| Accession Number | CHEM044214 |
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| Identification |
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| Common Name | 4-methyl-2,2,4,6,6-pentaphenyl-3,5-dioxa-2,4,6-trisilaheptane |
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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 | Not Available |
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| Chemical Formula | C33H34O2Si3 |
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| Average Molecular Mass | 546.888 g/mol |
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| Monoisotopic Mass | 546.187 g/mol |
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| CAS Registry Number | 3390-61-2 |
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| IUPAC Name | 4-methyl-2,2,4,6,6-pentaphenyl-3,5-dioxa-2,4,6-trisilaheptane |
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| Traditional Name | 4-methyl-2,2,4,6,6-pentaphenyl-3,5-dioxa-2,4,6-trisilaheptane |
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| SMILES | C[Si](O[Si](C)(C1=CC=CC=C1)C1=CC=CC=C1)(O[Si](C)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 |
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| InChI Identifier | InChI=1S/C33H34O2Si3/c1-36(29-19-9-4-10-20-29,30-21-11-5-12-22-30)34-38(3,33-27-17-8-18-28-33)35-37(2,31-23-13-6-14-24-31)32-25-15-7-16-26-32/h4-28H,1-3H3 |
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| InChI Key | PHLASVAENYNAOW-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 homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic 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 | splash10-0002-0000090000-00236c1fd025e769a5a1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-1900000000-fc63c11af5e923a65459 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-2643090000-25882d31b666756a897a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0011290000-9e0f154f7a4fec6ff6dc | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-002b-9225180000-bb826409377d01ae0550 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-c9132936c3c7abd74b83 | 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 | 76925 |
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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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