(3-chloropropoxy)cyclopentane

• ChemBase ID: 256391
• Molecular Formular: C8H15ClO
• Molecular Mass: 162.6571
• Monoisotopic Mass: 162.08114278
• SMILES: ClCCCOC1CCCC1
• Canonical SMILES: ClCCCOC1CCCC1
• InChI: InChI=1S/C8H15ClO/c9-6-3-7-10-8-4-1-2-5-8/h8H,1-7H2
• InChIKey: OLVORCJYEAXYAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09815855
• PubChem SID: 164312301
• PubChem CID: 24688910

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2037008
• LogD (pH = 7.4): 2.2037008
• Log P: 2.2037008
• Molar Refractivity: 43.6344 cm^3
• Polarizability: 17.253254 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.205

Product Information

• Purity: 95%