ChemSpider 2D Image | (3R,3aR,9aR,9bR)-3,6,9-Trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione | C15H18O3

(3R,3aR,9aR,9bR)-3,6,9-Trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

  • Molecular FormulaC15H18O3
  • Average mass246.302 Da
  • Monoisotopic mass246.125595 Da
  • ChemSpider ID110092130

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,3aR,9aR,9bR)-3,6,9-Trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dion [German] [ACD/IUPAC Name]
(3R,3aR,9aR,9bR)-3,6,9-Trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione [ACD/IUPAC Name]
(3R,3aR,9aR,9bR)-3,6,9-Triméthyl-3,3a,4,5,9a,9b-hexahydroazuléno[4,5-b]furane-2,7-dione [French] [ACD/IUPAC Name]
Azuleno[4,5-b]furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-3,6,9-trimethyl-, (3R,3aR,9aR,9bR)- [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: 436.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 195.8±28.8 °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: 1.92
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.52
ACD/KOC (pH 5.5): 392.62
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.52
ACD/KOC (pH 7.4): 392.62
Polar Surface Area: 43 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 208.6±5.0 cm3

Click to predict properties on the Chemicalize site


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