(chloromethyl)cyclopentane

• ChemBase ID: 263169
• Molecular Formular: C6H11Cl
• Molecular Mass: 118.60454
• Monoisotopic Mass: 118.05492803
• SMILES: ClCC1CCCC1
• Canonical SMILES: ClCC1CCCC1
• InChI: InChI=1S/C6H11Cl/c7-5-6-3-1-2-4-6/h6H,1-5H2
• InChIKey: NQIIILQXTJXSCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11646276
• PubChem SID: 164319079
• PubChem CID: 12815409

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5057294
• LogD (pH = 7.4): 2.5057294
• Log P: 2.5057294
• Molar Refractivity: 32.4563 cm^3
• Polarizability: 12.8677 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.027

Product Information

• Purity: 95%