ChemSpider 2D Image | (1bR,4aS,7S,7aS,9aR)-7,9a-Dimethyl-4-methylenedecahydro-3H-oxireno[7,8]naphtho[8a,1-b]furan-3-one | C15H20O3

(1bR,4aS,7S,7aS,9aR)-7,9a-Dimethyl-4-methylenedecahydro-3H-oxireno[7,8]naphtho[8a,1-b]furan-3-one

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID114392230

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1bR,4aS,7S,7aS,9aR)-7,9a-Dimethyl-4-methylendecahydro-3H-oxireno[7,8]naphtho[8a,1-b]furan-3-on [German] [ACD/IUPAC Name]
(1bR,4aS,7S,7aS,9aR)-7,9a-Dimethyl-4-methylenedecahydro-3H-oxireno[7,8]naphtho[8a,1-b]furan-3-one [ACD/IUPAC Name]
(1bR,4aS,7S,7aS,9aR)-7,9a-Diméthyl-4-méthylènedécahydro-3H-oxiréno[7,8]naphto[8a,1-b]furan-3-one [French] [ACD/IUPAC Name]
3H-Oxireno[7,8]naphtho[8a,1-b]furan-3-one, decahydro-7,9a-dimethyl-4-methylene-, (1bR,4aS,7S,7aS,9aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 398.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 168.5±20.5 °C
Index of Refraction: 1.549
Molar Refractivity: 66.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.55
ACD/KOC (pH 5.5): 568.75
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 49.55
ACD/KOC (pH 7.4): 568.75
Polar Surface Area: 39 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 208.7±5.0 cm3

Click to predict properties on the Chemicalize site


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