1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol

• ChemBase ID: 125284
• Molecular Formular: C11H20O
• Molecular Mass: 168.2759
• Monoisotopic Mass: 168.15141526
• SMILES: OC1(C)CC2CCC1(C2(C)C)C
• Canonical SMILES: CC12CCC(C2(C)C)CC1(C)O
• InChI: InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3
• InChIKey: LFYXNXGVLGKVCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol
• IUPAC Traditional name: 2-methylisoborneol
• Synonyms: 2-Methyl-2-bornanol; 2-Methylisoborneol

Database IDs

• CAS Number: 2371-42-8
• PubChem SID: 162219634
• PubChem CID: 16913
• Chemspider ID: 16024
• Wikipedia Title: 2-Methylisoborneol

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2700343
• LogD (pH = 7.4): 2.2700346
• Log P: 2.2700346
• Molar Refractivity: 49.9525 cm^3
• Polarizability: 20.156242 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true