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

• ChemBase ID: 184497
• Molecular Formular: C15H26O2
• Molecular Mass: 238.36574
• Monoisotopic Mass: 238.19328007
• SMILES: C12([C@@H](C(C(=CC1C)C)C(OC2)C(C)C)C)CO
• Canonical SMILES: OCC12COC(C([C@H]2C)C(=CC1C)C)C(C)C
• InChI: InChI=1S/C15H26O2/c1-9(2)14-13-10(3)6-11(4)15(7-16,8-17-14)12(13)5/h6,9,11-14,16H,7-8H2,1-5H3/t11?,12-,13?,14?,15?/m1/s1
• InChIKey: BNAPJYMSXNSYQF-HLTWPCROSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164240407
• PubChem CID: 16395991

CALCULATED PROPERTIES

• Acid pKa: 15.012695
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5424817
• LogD (pH = 7.4): 2.5424817
• Log P: 2.5424817
• Molar Refractivity: 70.9795 cm^3
• Polarizability: 27.971695 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Conformers
• Classification: Rare Derivatives of Natural Compounds