[(1R,5R)-4-(furan-2-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-(propan-2-yl)carbamate

• ChemBase ID: 187311
• Molecular Formular: C20H29NO4
• Molecular Mass: 347.44856
• Monoisotopic Mass: 347.20965841
• SMILES: [C@]12(C([C@@H](C(=CC1C)C)C(OC2)c1occc1)C)COC(=O)NC(C)C
• Canonical SMILES: CC(NC(=O)OC[C@]12COC([C@@H](C2C)C(=CC1C)C)c1ccco1)C
• InChI: InChI=1S/C20H29NO4/c1-12(2)21-19(22)25-11-20-10-24-18(16-7-6-8-23-16)17(15(20)5)13(3)9-14(20)4/h6-9,12,14-15,17-18H,10-11H2,1-5H3,(H,21,22)/t14?,15?,17?,18?,20-/m1/s1
• InChIKey: ABFSDSQOZYJGJO-ACJVDORSSA-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-en-1-yl]methyl N-(propan-2-yl)carbamate
• IUPAC Traditional name: [(1R,5R)-4-(furan-2-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-isopropylcarbamate

Database IDs

• PubChem SID: 164243221
• PubChem CID: 44891312

CALCULATED PROPERTIES

• Acid pKa: 14.993464
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1875372
• LogD (pH = 7.4): 3.1875372
• Log P: 3.1875372
• Molar Refractivity: 96.1311 cm^3
• Polarizability: 37.556244 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