1-chloro-3-methylcyclopentane

• ChemBase ID: 247689
• Molecular Formular: C6H11Cl
• Molecular Mass: 118.60454
• Monoisotopic Mass: 118.05492803
• SMILES: C1C(Cl)CCC1C
• Canonical SMILES: CC1CCC(C1)Cl
• InChI: InChI=1S/C6H11Cl/c1-5-2-3-6(7)4-5/h5-6H,2-4H2,1H3
• InChIKey: XZTDXLYILUJOTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-3-methylcyclopentane
• IUPAC Traditional name: 1-chloro-3-methylcyclopentane
• Synonyms: 1-chloro-3-methylcyclopentane

Database IDs

• MDL Number: MFCD08459330
• PubChem SID: 164303599
• PubChem CID: 53882793

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4777358
• LogD (pH = 7.4): 2.4777358
• Log P: 2.4777358
• Molar Refractivity: 32.2741 cm^3
• Polarizability: 12.868657 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.147

Product Information

• Purity: 95%