bicyclo[3.2.2]nonane

• ChemBase ID: 79672
• Molecular Formular: C9H16
• Molecular Mass: 124.22334
• Monoisotopic Mass: 124.12520051
• SMILES: C1CC2CCCC1CC2
• Canonical SMILES: C1CC2CCC(C1)CC2
• InChI: InChI=1S/C9H16/c1-2-8-4-6-9(3-1)7-5-8/h8-9H,1-7H2
• InChIKey: GNTFBMAGLFYMMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[3.2.2]nonane
• IUPAC Traditional name: bicyclo[3.2.2]nonane
• Synonyms: bicyclo[3.2.2]nonane

Database IDs

• MDL Number: MFCD00204037
• PubChem SID: 162044435
• PubChem CID: 136111

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.222293
• LogD (pH = 7.4): 3.222293
• Log P: 3.222293
• Molar Refractivity: 39.502 cm^3
• Polarizability: 15.879366 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true