(chloromethyl)cyclohexane

• ChemBase ID: 269989
• Molecular Formular: C7H13Cl
• Molecular Mass: 132.63112
• Monoisotopic Mass: 132.0705781
• SMILES: ClCC1CCCCC1
• Canonical SMILES: ClCC1CCCCC1
• InChI: InChI=1S/C7H13Cl/c8-6-7-4-2-1-3-5-7/h7H,1-6H2
• InChIKey: OMEGHMBBBTYRFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (chloromethyl)cyclohexane
• IUPAC Traditional name: (chloromethyl)cyclohexane
• Synonyms: (chloromethyl)cyclohexane

Database IDs

• MDL Number: MFCD09908175
• PubChem SID: 164325899
• PubChem CID: 3015335

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.950298
• LogD (pH = 7.4): 2.950298
• Log P: 2.950298
• Molar Refractivity: 37.0573 cm^3
• Polarizability: 14.707412 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.586

Product Information

• Purity: 95%