(1R,5R)-4-(furan-2-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-ene

• ChemBase ID: 185567
• Molecular Formular: C15H20O2
• Molecular Mass: 232.3181
• Monoisotopic Mass: 232.14632988
• SMILES: C1(=CC([C@@H]2C([C@H]1C(OC2)c1occc1)C)C)C
• Canonical SMILES: CC1=CC(C)[C@@H]2C([C@H]1C(OC2)c1ccco1)C
• InChI: InChI=1S/C15H20O2/c1-9-7-10(2)14-11(3)12(9)8-17-15(14)13-5-4-6-16-13/h4-7,9,11-12,14-15H,8H2,1-3H3/t9?,11?,12-,14+,15?/m1/s1
• InChIKey: KGXZCJHFZYYKMQ-GMOJYXOHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5R)-4-(furan-2-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-ene
• IUPAC Traditional name: (1R,5R)-4-(furan-2-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-ene

Database IDs

• PubChem SID: 164241477
• PubChem CID: 16396338

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9856687
• LogD (pH = 7.4): 2.9856687
• Log P: 2.9856687
• Molar Refractivity: 68.066 cm^3
• Polarizability: 26.43688 Å^3
• Polar Surface Area: 22.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds