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

• ChemBase ID: 185390
• Molecular Formular: C19H26O
• Molecular Mass: 270.40914
• Monoisotopic Mass: 270.19836545
• SMILES: C1(=CC([C@@H]2C([C@H]1C(OC2)CCc1ccccc1)C)C)C
• Canonical SMILES: CC1=CC(C)[C@@H]2C([C@H]1C(OC2)CCc1ccccc1)C
• InChI: InChI=1S/C19H26O/c1-13-11-14(2)19-15(3)17(13)12-20-18(19)10-9-16-7-5-4-6-8-16/h4-8,11,13,15,17-19H,9-10,12H2,1-3H3/t13?,15?,17-,18?,19+/m1/s1
• InChIKey: UVNGGCOBGXQNNU-ZZUIQXLDSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164241300
• PubChem CID: 16396273

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.658652
• LogD (pH = 7.4): 4.658652
• Log P: 4.658652
• Molar Refractivity: 85.0311 cm^3
• Polarizability: 33.238354 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds