2,6-bis[(trimethylsilyl)oxy]bicyclo[3.3.1]nonane-2,6-dicarbonitrile

• ChemBase ID: 80262
• Molecular Formular: C17H30N2O2Si2
• Molecular Mass: 350.6033
• Monoisotopic Mass: 350.18458127
• SMILES: N#CC1(C2CC(C(C#N)(O[Si](C)(C)C)CC2)CC1)O[Si](C)(C)C
• Canonical SMILES: N#CC1(CCC2CC1CCC2(C#N)O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C17H30N2O2Si2/c1-22(2,3)20-16(12-18)9-7-15-11-14(16)8-10-17(15,13-19)21-23(4,5)6/h14-15H,7-11H2,1-6H3
• InChIKey: KZHKLJLJVDSJTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-bis[(trimethylsilyl)oxy]bicyclo[3.3.1]nonane-2,6-dicarbonitrile
• IUPAC Traditional name: 2,6-bis[(trimethylsilyl)oxy]bicyclo[3.3.1]nonane-2,6-dicarbonitrile
• Synonyms: 2,6-di[(1,1,1-trimethylsilyl)oxy]bicyclo[3.3.1]nonane-2,6-dicarbonitrile

Database IDs

• MDL Number: MFCD00829460
• PubChem SID: 162067382
• PubChem CID: 2775956

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3579
• LogD (pH = 7.4): 3.3579
• Log P: 3.3579
• Molar Refractivity: 85.1462 cm^3
• Polarizability: 37.534737 Å^3
• Polar Surface Area: 66.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true