1-(Trimethylsiloxy)cyclohexene - CAS 6651-36-1
Catalog: |
BB033048 |
Product Name: |
1-(Trimethylsiloxy)cyclohexene |
CAS: |
6651-36-1 |
Synonyms: |
cyclohexen-1-yloxy(trimethyl)silane |
IUPAC Name: | cyclohexen-1-yloxy(trimethyl)silane |
Description: | 1-(Trimethylsiloxy)cyclohexene (CAS# 6651-36-1) is used as a reagent in the synthesis of 6-Methyl Chrysene (M265140); an aryl hydrocarbon receptor (AhR) agonist that has been listed as possibly carcinogenic to humans. |
Molecular Weight: | 170.32 |
Molecular Formula: | C9H18OSi |
Canonical SMILES: | C[Si](C)(C)OC1=CCCCC1 |
InChI: | InChI=1S/C9H18OSi/c1-11(2,3)10-9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3 |
InChI Key: | SBEMOANGDSSPJY-UHFFFAOYSA-N |
Boiling Point: | 64-65 °C (15 mmHg) |
Density: | 0.875 g/cm3 |
MDL: | MFCD00001541 |
LogP: | 3.29580 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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WO-2021060418-A1 | Cyclic polymer hydride, manufacturing method therefor, and resin composition | 20190925 |
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PMID | Publication Date | Title | Journal |
21580742 | 20100327 | 1'-Ethyl-sulfanyl-1,1'-bicyclo-hexyl-2-one | Acta crystallographica. Section E, Structure reports online |
19795856 | 20091106 | P(PhCH2NCH2CH2)3N catalysis of Mukaiyama aldol reactions of aliphatic, aromatic, and heterocyclic aldehydes and trifluoromethyl phenyl ketone | The Journal of organic chemistry |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.112691728 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.112691728 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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