3-(cyclohexyloxy)propanenitrile

• ChemBase ID: 261465
• Molecular Formular: C9H15NO
• Molecular Mass: 153.2215
• Monoisotopic Mass: 153.11536411
• SMILES: N#CCCOC1CCCCC1
• Canonical SMILES: N#CCCOC1CCCCC1
• InChI: InChI=1S/C9H15NO/c10-7-4-8-11-9-5-2-1-3-6-9/h9H,1-6,8H2
• InChIKey: KIYRTZOGFLTVIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclohexyloxy)propanenitrile
• IUPAC Traditional name: 3-(cyclohexyloxy)propanenitrile
• Synonyms: 3-(cyclohexyloxy)propanenitrile

Database IDs

• MDL Number: MFCD09942390
• PubChem SID: 164317375
• PubChem CID: 85578

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6967648
• LogD (pH = 7.4): 1.6967648
• Log P: 1.6967648
• Molar Refractivity: 43.79 cm^3
• Polarizability: 17.110949 Å^3
• Polar Surface Area: 33.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.558

Product Information

• Purity: 95%