(1R,5R)-6,8,9-trimethyl-4-phenyl-3-oxabicyclo[3.3.1]non-6-ene

• ChemBase ID: 182211
• Molecular Formular: C17H22O
• Molecular Mass: 242.35598
• Monoisotopic Mass: 242.16706532
• SMILES: C1(=CC([C@@H]2C([C@H]1C(OC2)c1ccccc1)C)C)C
• Canonical SMILES: CC1=CC(C)[C@@H]2C([C@H]1C(OC2)c1ccccc1)C
• InChI: InChI=1S/C17H22O/c1-11-9-12(2)16-13(3)15(11)10-18-17(16)14-7-5-4-6-8-14/h4-9,11,13,15-17H,10H2,1-3H3/t11?,13?,15-,16+,17?/m1/s1
• InChIKey: NNHYOOCXPLESAS-HDAJCPPQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5R)-6,8,9-trimethyl-4-phenyl-3-oxabicyclo[3.3.1]non-6-ene
• IUPAC Traditional name: (1R,5R)-6,8,9-trimethyl-4-phenyl-3-oxabicyclo[3.3.1]non-6-ene

Database IDs

• PubChem SID: 164238121
• PubChem CID: 16395389

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.925422
• LogD (pH = 7.4): 3.925422
• Log P: 3.925422
• Molar Refractivity: 75.6751 cm^3
• Polarizability: 29.61934 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds