1-[(trimethylsilyl)oxy]cyclododecane-1-carbonitrile

• ChemBase ID: 80260
• Molecular Formular: C16H31NOSi
• Molecular Mass: 281.50894
• Monoisotopic Mass: 281.21749115
• SMILES: N#CC1(O[Si](C)(C)C)CCCCCCCCCCC1
• Canonical SMILES: N#CC1(CCCCCCCCCCC1)O[Si](C)(C)C
• InChI: InChI=1S/C16H31NOSi/c1-19(2,3)18-16(15-17)13-11-9-7-5-4-6-8-10-12-14-16/h4-14H2,1-3H3
• InChIKey: OPORNEWTBNQMLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(trimethylsilyl)oxy]cyclododecane-1-carbonitrile
• IUPAC Traditional name: 1-[(trimethylsilyl)oxy]cyclododecane-1-carbonitrile
• Synonyms: 1-[(1,1,1-trimethylsilyl)oxy]cyclododecane-1-carbonitrile

Database IDs

• MDL Number: MFCD00829455
• PubChem SID: 162067380
• PubChem CID: 2775953

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.8967
• LogD (pH = 7.4): 4.8967
• Log P: 4.8967
• Molar Refractivity: 78.1111 cm^3
• Polarizability: 32.938248 Å^3
• Polar Surface Area: 33.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true