1-cyclopentyl-4-methylbenzene

• ChemBase ID: 294932
• Molecular Formular: C12H16
• Molecular Mass: 160.25544
• Monoisotopic Mass: 160.12520051
• SMILES: Cc1ccc(C2CCCC2)cc1
• Canonical SMILES: Cc1ccc(cc1)C1CCCC1
• InChI: InChI=1S/C12H16/c1-10-6-8-12(9-7-10)11-4-2-3-5-11/h6-9,11H,2-5H2,1H3
• InChIKey: DXLNQBADBSYAHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-4-methylbenzene
• IUPAC Traditional name: 1-cyclopentyl-4-methylbenzene
• Synonyms: 1-Cyclopentyl-4-methylbenzene

Database IDs

• CAS Number: 827-55-4
• PubChem SID: 180680463
• PubChem CID: 10702116

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.157088
• LogD (pH = 7.4): 4.157088
• Log P: 4.157088
• Molar Refractivity: 52.6898 cm^3
• Polarizability: 20.563345 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%