2-cyclopropylcyclohexan-1-one

• ChemBase ID: 248595
• Molecular Formular: C9H14O
• Molecular Mass: 138.20686
• Monoisotopic Mass: 138.10446507
• SMILES: C1(CC1)C1C(=O)CCCC1
• Canonical SMILES: O=C1CCCCC1C1CC1
• InChI: InChI=1S/C9H14O/c10-9-4-2-1-3-8(9)7-5-6-7/h7-8H,1-6H2
• InChIKey: SLWWSVMYVPWUEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylcyclohexan-1-one
• IUPAC Traditional name: 2-cyclopropylcyclohexan-1-one
• Synonyms: 2-cyclopropylcyclohexan-1-one

Database IDs

• MDL Number: MFCD20336064
• PubChem SID: 164304505
• PubChem CID: 13551785

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2990425
• LogD (pH = 7.4): 2.2990425
• Log P: 2.2990425
• Molar Refractivity: 40.1693 cm^3
• Polarizability: 15.920088 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.738

Product Information

• Purity: 95%