ChemSpider 2D Image | (3aR,4aS,5S,6aR)-5a-Methyl-3-methylene-5-(3-oxobutyl)octahydro-2H-cyclopropa[f][1]benzofuran-2-one | C15H20O3

(3aR,4aS,5S,6aR)-5a-Methyl-3-methylene-5-(3-oxobutyl)octahydro-2H-cyclopropa[f][1]benzofuran-2-one

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID58816222

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3aR,4aS,5S,6aR)-5a-Methyl-3-methylen-5-(3-oxobutyl)octahydro-2H-cyclopropa[f][1]benzofuran-2-on [German] [ACD/IUPAC Name]
(3aR,4aS,5S,6aR)-5a-Methyl-3-methylene-5-(3-oxobutyl)octahydro-2H-cyclopropa[f][1]benzofuran-2-one [ACD/IUPAC Name]
(3aR,4aS,5S,6aR)-5a-Méthyl-3-méthylène-5-(3-oxobutyl)octahydro-2H-cyclopropa[f][1]benzofuran-2-one [French] [ACD/IUPAC Name]
2H-Cyclopropa[f]benzofuran-2-one, octahydro-5a-methyl-3-methylene-5-(3-oxobutyl)-, (3aR,4aS,5S,6aR)- [ACD/Index Name]
1748-81-8 [RN]
Carabrone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 397.4±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 176.5±20.4 °C
Index of Refraction: 1.525
Molar Refractivity: 66.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.78
ACD/KOC (pH 5.5): 366.12
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.78
ACD/KOC (pH 7.4): 366.12
Polar Surface Area: 43 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 39.6±5.0 dyne/cm
Molar Volume: 217.9±5.0 cm3

Click to predict properties on the Chemicalize site


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