bicyclo[3.2.1]octan-1-ol

• ChemBase ID: 83510
• Molecular Formular: C8H14O
• Molecular Mass: 126.19616
• Monoisotopic Mass: 126.10446507
• SMILES: OC12CC(CC1)CCC2
• Canonical SMILES: OC12CCCC(C2)CC1
• InChI: InChI=1S/C8H14O/c9-8-4-1-2-7(6-8)3-5-8/h7,9H,1-6H2
• InChIKey: YOUYXVQUIJGXKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[3.2.1]octan-1-ol
• IUPAC Traditional name: bicyclo[3.2.1]octan-1-ol
• Synonyms: bicyclo[3.2.1]octan-1-ol

Database IDs

• MDL Number: MFCD00101893
• PubChem SID: 162070628
• PubChem CID: 2780417

CALCULATED PROPERTIES

• Acid pKa: 19.353228
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4625169
• LogD (pH = 7.4): 1.462517
• Log P: 1.462517
• Molar Refractivity: 36.5831 cm^3
• Polarizability: 14.624914 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true