3-(cyclopentyloxy)propanenitrile

• ChemBase ID: 273763
• Molecular Formular: C8H13NO
• Molecular Mass: 139.19492
• Monoisotopic Mass: 139.09971404
• SMILES: N#CCCOC1CCCC1
• Canonical SMILES: N#CCCOC1CCCC1
• InChI: InChI=1S/C8H13NO/c9-6-3-7-10-8-4-1-2-5-8/h8H,1-5,7H2
• InChIKey: BYHHCEHOVIMCTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09948576
• PubChem SID: 164329673
• PubChem CID: 24708914

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2521962
• LogD (pH = 7.4): 1.2521962
• Log P: 1.2521962
• Molar Refractivity: 39.189 cm^3
• Polarizability: 15.271429 Å^3
• Polar Surface Area: 33.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.999

Product Information

• Purity: 95%