[(1R,9R)-4-(furan-2-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-cyclohexylcarbamate

• ChemBase ID: 180575
• Molecular Formular: C23H33NO4
• Molecular Mass: 387.51242
• Monoisotopic Mass: 387.24095854
• SMILES: [C@]12([C@@H](C(C(=CC1C)C)C(OC2)c1occc1)C)COC(=O)NC1CCCCC1
• Canonical SMILES: O=C(NC1CCCCC1)OC[C@]12COC(C([C@H]2C)C(=CC1C)C)c1ccco1
• InChI: InChI=1S/C23H33NO4/c1-15-12-16(2)23(14-28-22(25)24-18-8-5-4-6-9-18)13-27-21(20(15)17(23)3)19-10-7-11-26-19/h7,10-12,16-18,20-21H,4-6,8-9,13-14H2,1-3H3,(H,24,25)/t16?,17-,20?,21?,23-/m1/s1
• InChIKey: UBWSSQOTCAHVGX-ZQWXZHDDSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164236485
• PubChem CID: 16395009

CALCULATED PROPERTIES

• Acid pKa: 14.806878
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.2134247
• LogD (pH = 7.4): 4.2134247
• Log P: 4.2134247
• Molar Refractivity: 107.9779 cm^3
• Polarizability: 42.348083 Å^3
• Polar Surface Area: 60.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds