2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one

• ChemBase ID: 119075
• Molecular Formular: C10H14O
• Molecular Mass: 150.21756
• Monoisotopic Mass: 150.10446507
• SMILES: C1(=O)C(=CCC(C1)C(=C)C)C
• Canonical SMILES: CC(=C)C1CC=C(C(=O)C1)C
• InChI: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3
• InChIKey: ULDHMXUKGWMISQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
• IUPAC Traditional name: carvone
• Synonyms: 2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enone

Database IDs

• PubChem SID: 162107778
• PubChem CID: 7439

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5525293
• LogD (pH = 7.4): 2.5525293
• Log P: 2.5525293
• Molar Refractivity: 47.1735 cm^3
• Polarizability: 18.023672 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true