cyclohexyl(cyclopropyl)methanone

• ChemBase ID: 268647
• Molecular Formular: C10H16O
• Molecular Mass: 152.23344
• Monoisotopic Mass: 152.12011513
• SMILES: C1(C(=O)C2CCCCC2)CC1
• Canonical SMILES: O=C(C1CC1)C1CCCCC1
• InChI: InChI=1S/C10H16O/c11-10(9-6-7-9)8-4-2-1-3-5-8/h8-9H,1-7H2
• InChIKey: HZRHGOMCJOCIPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyl(cyclopropyl)methanone
• IUPAC Traditional name: cyclohexyl(cyclopropyl)methanone
• Synonyms: cyclohexyl(cyclopropyl)methanone

Database IDs

• MDL Number: MFCD12153378
• PubChem SID: 164324557
• PubChem CID: 12243519

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9995782
• LogD (pH = 7.4): 2.9995782
• Log P: 2.9995782
• Molar Refractivity: 44.7962 cm^3
• Polarizability: 17.763361 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.407

Product Information

• Purity: 95%