2-cyclohexyl-2-methylpropanenitrile

• ChemBase ID: 247497
• Molecular Formular: C10H17N
• Molecular Mass: 151.24868
• Monoisotopic Mass: 151.13609955
• SMILES: N#CC(C1CCCCC1)(C)C
• Canonical SMILES: N#CC(C1CCCCC1)(C)C
• InChI: InChI=1S/C10H17N/c1-10(2,8-11)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3
• InChIKey: WSFMYWWIDQSYLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexyl-2-methylpropanenitrile
• IUPAC Traditional name: 2-cyclohexyl-2-methylpropanenitrile
• Synonyms: 2-cyclohexyl-2-methylpropanenitrile

Database IDs

• MDL Number: MFCD00154856
• PubChem SID: 164303407
• PubChem CID: 4100757

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2357075
• LogD (pH = 7.4): 3.2357075
• Log P: 3.2357075
• Molar Refractivity: 46.4758 cm^3
• Polarizability: 18.27094 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.964

Product Information

• Purity: 95%