(3-chloropropoxy)cyclohexane

• ChemBase ID: 256392
• Molecular Formular: C9H17ClO
• Molecular Mass: 176.68368
• Monoisotopic Mass: 176.09679284
• SMILES: ClCCCOC1CCCCC1
• Canonical SMILES: ClCCCOC1CCCCC1
• InChI: InChI=1S/C9H17ClO/c10-7-4-8-11-9-5-2-1-3-6-9/h9H,1-8H2
• InChIKey: XUPYLBDRWQBBOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09816592
• PubChem SID: 164312302
• PubChem CID: 24688515

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6482697
• LogD (pH = 7.4): 2.6482697
• Log P: 2.6482697
• Molar Refractivity: 48.2354 cm^3
• Polarizability: 19.089867 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.764

Product Information

• Purity: 95%