ChemSpider 2D Image | (4aS,7S,8aR)-7-Hydroxy-8a-methyl-3,5-bis(methylene)decahydronaphtho[2,3-b]furan-2(3H)-one | C15H20O3

(4aS,7S,8aR)-7-Hydroxy-8a-methyl-3,5-bis(methylene)decahydronaphtho[2,3-b]furan-2(3H)-one

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID66424919

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(4aS,7S,8aR)-7-Hydroxy-8a-methyl-3,5-bis(methylene)decahydronaphtho[2,3-b]furan-2(3H)-one [ACD/IUPAC Name]
(4aS,7S,8aR)-7-Hydroxy-8a-methyl-3,5-dimethylendecahydronaphtho[2,3-b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(4aS,7S,8aR)-7-Hydroxy-8a-méthyl-3,5-diméthylènedécahydronaphto[2,3-b]furan-2(3H)-one [French] [ACD/IUPAC Name]
Naphtho[2,3-b]furan-2(3H)-one, decahydro-7-hydroxy-8a-methyl-3,5-bis(methylene)-, (4aS,7S,8aR)- [ACD/Index Name]
ivalin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 416.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.4±6.0 kJ/mol
Flash Point: 176.9±21.5 °C
Index of Refraction: 1.547
Molar Refractivity: 67.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.39
ACD/KOC (pH 5.5): 342.44
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.39
ACD/KOC (pH 7.4): 342.44
Polar Surface Area: 47 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 213.5±5.0 cm3

Click to predict properties on the Chemicalize site


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