trimethyl[(3-phenylcyclohex-1-en-1-yl)oxy]silane

• ChemBase ID: 179256
• Molecular Formular: C15H22OSi
• Molecular Mass: 246.42008
• Monoisotopic Mass: 246.14399186
• SMILES: C1(CCCC(=C1)O[Si](C)(C)C)c1ccccc1
• Canonical SMILES: C[Si](OC1=CC(CCC1)c1ccccc1)(C)C
• InChI: InChI=1S/C15H22OSi/c1-17(2,3)16-15-11-7-10-14(12-15)13-8-5-4-6-9-13/h4-6,8-9,12,14H,7,10-11H2,1-3H3
• InChIKey: DRHSTRHDSUWTRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl[(3-phenylcyclohex-1-en-1-yl)oxy]silane
• IUPAC Traditional name: trimethyl[(3-phenylcyclohex-1-en-1-yl)oxy]silane
• Synonyms: Trimethyl[(3-phenyl-1-cyclohexen-1-yl)oxy]-silane; [3-[(Trimethylsilyl)oxy]-2-cyclohexen-1-yl]-benzene

Database IDs

• CAS Number: 108643-81-8
• PubChem SID: 164235166
• PubChem CID: 553598

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9852
• LogD (pH = 7.4): 3.9852
• Log P: 3.9852
• Molar Refractivity: 71.5384 cm^3
• Polarizability: 29.58387 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true