(3-chloropropyl)cyclopentane

• ChemBase ID: 284456
• Molecular Formular: C8H15Cl
• Molecular Mass: 146.6577
• Monoisotopic Mass: 146.08622816
• SMILES: ClCCCC1CCCC1
• Canonical SMILES: ClCCCC1CCCC1
• InChI: InChI=1S/C8H15Cl/c9-7-3-6-8-4-1-2-5-8/h8H,1-7H2
• InChIKey: SODWOFXPVXKFRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chloropropyl)cyclopentane
• IUPAC Traditional name: (3-chloropropyl)cyclopentane
• Synonyms: (3-chloropropyl)cyclopentane

Database IDs

• MDL Number: MFCD00129933
• PubChem SID: 180669987
• PubChem CID: 13510167

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.316913
• LogD (pH = 7.4): 3.316913
• Log P: 3.316913
• Molar Refractivity: 41.7353 cm^3
• Polarizability: 16.548504 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.085

Product Information

• Purity: 95%