bicyclo[2.2.2]oct-2-en-1-ol

• ChemBase ID: 83456
• Molecular Formular: C8H12O
• Molecular Mass: 124.18028
• Monoisotopic Mass: 124.088815
• SMILES: OC12C=CC(CC1)CC2
• Canonical SMILES: OC12CCC(CC1)C=C2
• InChI: InChI=1S/C8H12O/c9-8-4-1-7(2-5-8)3-6-8/h1,4,7,9H,2-3,5-6H2
• InChIKey: YTZYREKPCQTYTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[2.2.2]oct-2-en-1-ol
• IUPAC Traditional name: bicyclo[2.2.2]oct-2-en-1-ol
• Synonyms: bicyclo[2.2.2]oct-2-en-1-ol

Database IDs

• MDL Number: MFCD00213770
• PubChem SID: 162070574
• PubChem CID: 144286

CALCULATED PROPERTIES

• Acid pKa: 18.67535
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2565027
• LogD (pH = 7.4): 1.2565029
• Log P: 1.2565029
• Molar Refractivity: 37.5457 cm^3
• Polarizability: 14.38512 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true