bicyclo[3.3.2]decan-9-one

• ChemBase ID: 79823
• Molecular Formular: C10H16O
• Molecular Mass: 152.23344
• Monoisotopic Mass: 152.12011513
• SMILES: O=C1CC2CCCC1CCC2
• Canonical SMILES: O=C1CC2CCCC1CCC2
• InChI: InChI=1S/C10H16O/c11-10-7-8-3-1-5-9(10)6-2-4-8/h8-9H,1-7H2
• InChIKey: QAVLIVNTLHVEGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[3.3.2]decan-9-one
• IUPAC Traditional name: bicyclo[3.3.2]decan-9-one
• Synonyms: bicyclo[3.3.2]decan-9-one

Database IDs

• MDL Number: MFCD00213785
• PubChem SID: 162044586
• PubChem CID: 557349

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.743611
• LogD (pH = 7.4): 2.743611
• Log P: 2.743611
• Molar Refractivity: 44.7703 cm^3
• Polarizability: 17.763361 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true