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

• ChemBase ID: 185230
• Molecular Formular: C15H26O2
• Molecular Mass: 238.36574
• Monoisotopic Mass: 238.19328007
• SMILES: [C@@]12(C([C@H](C(=CC1C)C)C(OC2)CCC)C)CO
• Canonical SMILES: CCCC1OC[C@]2(C([C@@H]1C(=CC2C)C)C)CO
• InChI: InChI=1S/C15H26O2/c1-5-6-13-14-10(2)7-11(3)15(8-16,9-17-13)12(14)4/h7,11-14,16H,5-6,8-9H2,1-4H3/t11?,12?,13?,14-,15+/m0/s1
• InChIKey: BCAUUCDDNVFSTF-KDLDWMSOSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164241140
• PubChem CID: 16396222

CALCULATED PROPERTIES

• Acid pKa: 15.012696
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6220775
• LogD (pH = 7.4): 2.6220775
• Log P: 2.6220775
• Molar Refractivity: 71.1089 cm^3
• Polarizability: 27.971695 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Diastereomers (4:1)
• Classification: Derivatives & analogs of Natural Compounds