3-cyclopentylcyclopentan-1-one

• ChemBase ID: 310550
• Molecular Formular: C10H16O
• Molecular Mass: 152.23344
• Monoisotopic Mass: 152.12011513
• SMILES: C1(CC(=O)CC1)C1CCCC1
• Canonical SMILES: O=C1CCC(C1)C1CCCC1
• InChI: InChI=1S/C10H16O/c11-10-6-5-9(7-10)8-3-1-2-4-8/h8-9H,1-7H2
• InChIKey: KCQKDYIMZAIYIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopentylcyclopentan-1-one
• IUPAC Traditional name: 3-cyclopentylcyclopentan-1-one
• Synonyms: 1,1'-bi(cyclopentyl)-3-one

Database IDs

• CAS Number: 27610-86-2
• MDL Number: MFCD00540241

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.487644
• LogD (pH = 7.4): 2.487644
• Log P: 2.487644
• Molar Refractivity: 44.7444 cm^3
• Polarizability: 17.763361 Å^3
• Polar Surface Area: 17.07 Å^2