[(9R)-4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl acetate

• ChemBase ID: 181793
• Molecular Formular: C15H24O3
• Molecular Mass: 252.34926
• Monoisotopic Mass: 252.17254463
• SMILES: C12([C@H](C(C(=CC1C)C)C(OC2)C)C)COC(=O)C
• Canonical SMILES: CC(=O)OCC12COC(C([C@@H]2C)C(=CC1C)C)C
• InChI: InChI=1S/C15H24O3/c1-9-6-10(2)15(8-18-13(5)16)7-17-12(4)14(9)11(15)3/h6,10-12,14H,7-8H2,1-5H3/t10?,11-,12?,14?,15?/m1/s1
• InChIKey: WECLYRGZNUYEJJ-MWIPOEPSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(9R)-4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl acetate
• IUPAC Traditional name: [(9R)-4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl acetate

Database IDs

• PubChem SID: 164237703
• PubChem CID: 16395283

CALCULATED PROPERTIES

• Log P: 2.096112
• Molar Refractivity: 71.1354 cm^3
• Polarizability: 28.114456 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.096112
• LogD (pH = 7.4): 2.096112

PROPERTIES

Product Information

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