bicyclo[2.2.1]heptan-2-ylmethanol

• ChemBase ID: 110963
• Molecular Formular: C8H14O
• Molecular Mass: 126.19616
• Monoisotopic Mass: 126.10446507
• SMILES: OCC1CC2CCC1C2
• Canonical SMILES: OCC1CC2CC1CC2
• InChI: InChI=1S/C8H14O/c9-5-8-4-6-1-2-7(8)3-6/h6-9H,1-5H2
• InChIKey: LWHKUVOYICRGGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[2.2.1]heptan-2-ylmethanol; {bicyclo[2.2.1]heptan-2-yl}methanol
• IUPAC Traditional name: 2-norbornane methanol
• Synonyms: BICYCLO(4.4.0)-2-DECANONE; Bicyclo[2.2.1]heptan-2-ylMethanol

Database IDs

• CAS Number: 5240-72-2
• PubChem SID: 162097033
• PubChem CID: 21308

CALCULATED PROPERTIES

• Acid pKa: 17.833263
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2614498
• LogD (pH = 7.4): 1.2614498
• Log P: 1.2614498
• Molar Refractivity: 36.7003 cm^3
• Polarizability: 14.624914 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05217217

MP Biomedicals Rare Chemical collection