ChemSpider 2D Image | (3aS,5aR,7S,9aS,9bR)-3a,6,6,9a-Tetramethyl-2-oxododecahydronaphtho[2,1-b]furan-7-yl acetate | C18H28O4

(3aS,5aR,7S,9aS,9bR)-3a,6,6,9a-Tetramethyl-2-oxododecahydronaphtho[2,1-b]furan-7-yl acetate

  • Molecular FormulaC18H28O4
  • Average mass308.413 Da
  • Monoisotopic mass308.198761 Da
  • ChemSpider ID24740601

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3aS,5aR,7S,9aS,9bR)-3a,6,6,9a-Tetramethyl-2-oxododecahydronaphtho[2,1-b]furan-7-yl acetate [ACD/IUPAC Name]
(3aS,5aR,7S,9aS,9bR)-3a,6,6,9a-Tetramethyl-2-oxododecahydronaphtho[2,1-b]furan-7-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3aS,5aR,7S,9aS,9bR)-3a,6,6,9a-tétraméthyl-2-oxododécahydronaphto[2,1-b]furan-7-yle [French] [ACD/IUPAC Name]
Naphtho[2,1-b]furan-2(1H)-one, 7-(acetyloxy)decahydro-3a,6,6,9a-tetramethyl-, (3aS,5aR,7S,9aS,9bR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 401.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 194.1±27.1 °C
Index of Refraction: 1.509
Molar Refractivity: 82.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 190.25
ACD/KOC (pH 5.5): 1489.88
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 190.25
ACD/KOC (pH 7.4): 1489.88
Polar Surface Area: 53 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 39.4±5.0 dyne/cm
Molar Volume: 277.9±5.0 cm3

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