(2Z)-2-(2-methylpropylidene)cyclohexan-1-one

• ChemBase ID: 120395
• Molecular Formular: C10H16O
• Molecular Mass: 152.23344
• Monoisotopic Mass: 152.12011513
• SMILES: C\1(=C/C(C)C)/C(=O)CCCC1
• Canonical SMILES: CC(/C=C\1/CCCCC1=O)C
• InChI: InChI=1S/C10H16O/c1-8(2)7-9-5-3-4-6-10(9)11/h7-8H,3-6H2,1-2H3/b9-7-
• InChIKey: WVANVZNUDWLCTQ-CLFYSBASSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-(2-methylpropylidene)cyclohexan-1-one
• IUPAC Traditional name: (2Z)-2-(2-methylpropylidene)cyclohexan-1-one
• Synonyms: (Z)-2-(2-methylpropylidene)cyclohexanone

Database IDs

• PubChem SID: 162214748
• PubChem CID: 1915416

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0577247
• LogD (pH = 7.4): 3.0577247
• Log P: 3.0577247
• Molar Refractivity: 47.4484 cm^3
• Polarizability: 18.259748 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true