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

• ChemBase ID: 182207
• Molecular Formular: C24H41NO3
• Molecular Mass: 391.58724
• Monoisotopic Mass: 391.30864418
• SMILES: [C@]12([C@@H](C(C(=CC1C)C)C(OC2)CCCCC)C)COC(=O)NC1CCCCC1
• Canonical SMILES: CCCCCC1OC[C@@]2([C@@H](C1C(=CC2C)C)C)COC(=O)NC1CCCCC1
• InChI: InChI=1S/C24H41NO3/c1-5-6-8-13-21-22-17(2)14-18(3)24(15-27-21,19(22)4)16-28-23(26)25-20-11-9-7-10-12-20/h14,18-22H,5-13,15-16H2,1-4H3,(H,25,26)/t18?,19-,21?,22?,24-/m1/s1
• InChIKey: MIQXWLSSVRFKLI-PLIXUWJQSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164238117
• PubChem CID: 16395388

CALCULATED PROPERTIES

• Acid pKa: 15.319607
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.6417413
• LogD (pH = 7.4): 5.6417413
• Log P: 5.6417413
• Molar Refractivity: 114.05 cm^3
• Polarizability: 45.09676 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds