ChemSpider 2D Image | (3aR,4aS,6aS,9aS)-1,4a-Dimethyl-7-methylene-5,6,6a,7,9a,9b-hexahydro-3H-oxireno[8,8a]azuleno[4,5-b]furan-8(4aH)-one | C15H18O3

(3aR,4aS,6aS,9aS)-1,4a-Dimethyl-7-methylene-5,6,6a,7,9a,9b-hexahydro-3H-oxireno[8,8a]azuleno[4,5-b]furan-8(4aH)-one

  • Molecular FormulaC15H18O3
  • Average mass246.302 Da
  • Monoisotopic mass246.125595 Da
  • ChemSpider ID20057174

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3aR,4aS,6aS,9aS)-1,4a-Dimethyl-7-methylen-5,6,6a,7,9a,9b-hexahydro-3H-oxireno[8,8a]azuleno[4,5-b]furan-8(4aH)-on [German] [ACD/IUPAC Name]
(3aR,4aS,6aS,9aS)-1,4a-Dimethyl-7-methylene-5,6,6a,7,9a,9b-hexahydro-3H-oxireno[8,8a]azuleno[4,5-b]furan-8(4aH)-one [ACD/IUPAC Name]
(3aR,4aS,6aS,9aS)-1,4a-Diméthyl-7-méthylène-5,6,6a,7,9a,9b-hexahydro-3H-oxiréno[8,8a]azuléno[4,5-b]furan-8(4aH)-one [French] [ACD/IUPAC Name]
3H-Oxireno[8,8a]azuleno[4,5-b]furan-8(4aH)-one, 5,6,6a,7,9a,9b-hexahydro-1,4a-dimethyl-7-methylene-, (3aR,4aS,6aS,9aS)- [ACD/Index Name]
rel-(3aR,4aS,6aS,9aS)-1,4a-dimethyl-7-methylene-5,6,6a,7,9a,9b-hexahydro-3H-oxireno[8,8a]azuleno[4,5-b]furan-8(4aH)-one
(3aR,4aS,6aS,9aS,9bR)-5,6,6a,7,9a,9b-hexahydro-1,4a-dimethyl-7-methylene-3H-oxireno[8,8a]azuleno[4,5-b]furan-8(4aH)-one
84692-91-1 [RN]
Arglabin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 404.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 171.3±23.3 °C
Index of Refraction: 1.571
Molar Refractivity: 66.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#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): 24.50
ACD/KOC (pH 5.5): 343.59
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.50
ACD/KOC (pH 7.4): 343.59
Polar Surface Area: 39 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 201.3±5.0 cm3

Click to predict properties on the Chemicalize site


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