[(1R,5R)-4,6-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol

• ChemBase ID: 183009
• Molecular Formular: C11H18O2
• Molecular Mass: 182.25942
• Monoisotopic Mass: 182.13067982
• SMILES: [C@H]12C(=CC[C@](C1)(COC2C)CO)C
• Canonical SMILES: OC[C@@]12COC([C@H](C2)C(=CC1)C)C
• InChI: InChI=1S/C11H18O2/c1-8-3-4-11(6-12)5-10(8)9(2)13-7-11/h3,9-10,12H,4-7H2,1-2H3/t9?,10-,11-/m1/s1
• InChIKey: SQPNHVABJLLNRG-FHZGLPGMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1R,5R)-4,6-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol
• IUPAC Traditional name: [(1R,5R)-4,6-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol

Database IDs

• PubChem SID: 164238919
• PubChem CID: 16395590

CALCULATED PROPERTIES

• Acid pKa: 15.028812
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0809484
• LogD (pH = 7.4): 1.0809484
• Log P: 1.0809484
• Molar Refractivity: 52.8867 cm^3
• Polarizability: 20.600706 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds