(2Z)-2-pentylidenecyclopentan-1-one

• ChemBase ID: 119033
• Molecular Formular: C10H16O
• Molecular Mass: 152.23344
• Monoisotopic Mass: 152.12011513
• SMILES: C\1(=C/CCCC)/C(=O)CCC1
• Canonical SMILES: CCCC/C=C\1/CCCC1=O
• InChI: InChI=1S/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h6H,2-5,7-8H2,1H3/b9-6-
• InChIKey: YZKUNNFZLUCEET-TWGQIWQCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-pentylidenecyclopentan-1-one
• IUPAC Traditional name: (2Z)-2-pentylidenecyclopentan-1-one
• Synonyms: (Z)-2-pentylidenecyclopentanone

Database IDs

• PubChem SID: 162107772
• PubChem CID: 1621051

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2152743
• LogD (pH = 7.4): 3.2152743
• Log P: 3.2152743
• Molar Refractivity: 47.5008 cm^3
• Polarizability: 18.259748 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true