bicyclo[3.2.2]nonan-6-ol

• ChemBase ID: 83470
• Molecular Formular: C9H16O
• Molecular Mass: 140.22274
• Monoisotopic Mass: 140.12011513
• SMILES: OC1CC2CCCC1CC2
• Canonical SMILES: OC1CC2CCCC1CC2
• InChI: InChI=1S/C9H16O/c10-9-6-7-2-1-3-8(9)5-4-7/h7-10H,1-6H2
• InChIKey: PTBNZHYVZGOQQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[3.2.2]nonan-6-ol
• IUPAC Traditional name: bicyclo[3.2.2]nonan-6-ol
• Synonyms: bicyclo[3.2.2]nonan-6-ol

Database IDs

• MDL Number: MFCD00101747
• PubChem SID: 162070588
• PubChem CID: 2780352

CALCULATED PROPERTIES

• Acid pKa: 19.14574
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9135281
• LogD (pH = 7.4): 1.9135282
• Log P: 1.9135282
• Molar Refractivity: 41.0945 cm^3
• Polarizability: 16.468021 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true