bicyclo[2.2.1]hept-5-en-2-ylmethanol

• ChemBase ID: 110275
• Molecular Formular: C8H12O
• Molecular Mass: 124.18028
• Monoisotopic Mass: 124.088815
• SMILES: OCC1CC2CC1C=C2
• Canonical SMILES: OCC1CC2CC1C=C2
• InChI: InChI=1S/C8H12O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2
• InChIKey: LUMNWCHHXDUKFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[2.2.1]hept-5-en-2-ylmethanol
• IUPAC Traditional name: bicyclo[2.2.1]hept-5-en-2-ylmethanol
• Synonyms: BICYCLO(2.2.1)HEPT-5-ENE-2-METHANOL

Database IDs

• CAS Number: 95-12-5
• EC Number: 202-392-0
• PubChem SID: 162095430
• PubChem CID: 78946

CALCULATED PROPERTIES

• Acid pKa: 17.923117
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.89952815
• LogD (pH = 7.4): 0.89952815
• Log P: 0.89952815
• Molar Refractivity: 37.8169 cm^3
• Polarizability: 14.38512 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true