[(9S)-6,8,9-trimethyl-4-(propan-2-ylidene)-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol

• ChemBase ID: 182003
• Molecular Formular: C15H24O2
• Molecular Mass: 236.34986
• Monoisotopic Mass: 236.17763001
• SMILES: C12([C@H](C(C(=C(C)C)OC2)C(=CC1C)C)C)CO
• Canonical SMILES: OCC12COC(=C(C)C)C([C@@H]2C)C(=CC1C)C
• InChI: InChI=1S/C15H24O2/c1-9(2)14-13-10(3)6-11(4)15(7-16,8-17-14)12(13)5/h6,11-13,16H,7-8H2,1-5H3/t11?,12-,13?,15?/m0/s1
• InChIKey: GCBFPUQWHILFHW-WEJPXRPDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(9S)-6,8,9-trimethyl-4-(propan-2-ylidene)-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol
• IUPAC Traditional name: [(9S)-6,8,9-trimethyl-4-(propan-2-ylidene)-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol

Database IDs

• PubChem SID: 164237913
• PubChem CID: 16395335

CALCULATED PROPERTIES

• Acid pKa: 15.01127
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0886135
• LogD (pH = 7.4): 2.0886135
• Log P: 2.0886135
• Molar Refractivity: 72.2833 cm^3
• Polarizability: 27.732939 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