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

• ChemBase ID: 185562
• Molecular Formular: C18H24O2
• Molecular Mass: 272.38196
• Monoisotopic Mass: 272.17763001
• SMILES: C1(=CC([C@@H]2C([C@H]1C(OC2)c1ccc(cc1)OC)C)C)C
• Canonical SMILES: COc1ccc(cc1)C1OC[C@H]2C([C@@H]1C(=CC2C)C)C
• InChI: InChI=1S/C18H24O2/c1-11-9-12(2)17-13(3)16(11)10-20-18(17)14-5-7-15(19-4)8-6-14/h5-9,11,13,16-18H,10H2,1-4H3/t11?,13?,16-,17+,18?/m1/s1
• InChIKey: DDAOZVNOWMAWFG-FTMWUQTMSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164241472
• PubChem CID: 16396336

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7677507
• LogD (pH = 7.4): 3.7677507
• Log P: 3.7677507
• Molar Refractivity: 82.1383 cm^3
• Polarizability: 32.106735 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds