4-[(tert-butyldiphenylsilyl)oxy]cyclohexane-1-carbonitrile

• ChemBase ID: 289475
• Molecular Formular: C23H29NOSi
• Molecular Mass: 363.56796
• Monoisotopic Mass: 363.20184109
• SMILES: CC(C)(C)[Si](OC1CCC(CC1)C#N)(c1ccccc1)c1ccccc1
• Canonical SMILES: N#CC1CCC(CC1)O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H29NOSi/c1-23(2,3)26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)25-20-16-14-19(18-24)15-17-20/h4-13,19-20H,14-17H2,1-3H3
• InChIKey: FAXMLJQZLHERED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(tert-butyldiphenylsilyl)oxy]cyclohexane-1-carbonitrile
• IUPAC Traditional name: 4-[(tert-butyldiphenylsilyl)oxy]cyclohexane-1-carbonitrile
• Synonyms: 4-(tert-Butyldiphenylsilyloxy)cyclohexanecarbonitrile

Database IDs

• CAS Number: 141336-97-2
• PubChem SID: 180675006
• PubChem CID: 18999548

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.2028
• LogD (pH = 7.4): 6.2028
• Log P: 6.2028
• Molar Refractivity: 103.7312 cm^3
• Polarizability: 42.947617 Å^3
• Polar Surface Area: 33.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%