[(1S,5S)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol

• ChemBase ID: 184526
• Molecular Formular: C14H22O2
• Molecular Mass: 222.32328
• Monoisotopic Mass: 222.16197994
• SMILES: [C@]12(C([C@@H](C(=CC1C)C)C(OC2)C=C)C)CO
• Canonical SMILES: C=CC1OC[C@@]2(C([C@H]1C(=CC2C)C)C)CO
• InChI: InChI=1S/C14H22O2/c1-5-12-13-9(2)6-10(3)14(7-15,8-16-12)11(13)4/h5-6,10-13,15H,1,7-8H2,2-4H3/t10?,11?,12?,13-,14+/m1/s1
• InChIKey: IWUQDBGHUILOGW-JJRYREJMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1S,5S)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol
• IUPAC Traditional name: [(1S,5S)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol

Database IDs

• PubChem SID: 164240436
• PubChem CID: 16396000

CALCULATED PROPERTIES

• Acid pKa: 15.012657
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0294285
• LogD (pH = 7.4): 2.0294285
• Log P: 2.0294285
• Molar Refractivity: 66.398 cm^3
• Polarizability: 25.888853 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Diastereomers
• Classification: Derivatives & analogs of Natural Compounds