ChemSpider 2D Image | 8-epiinuviscolide | C15H20O3

8-epiinuviscolide

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID28484538

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aR,4aR,5R,7aS,9aR)-5-Hydroxy-5-methyl-3,8-bis(methylene)decahydroazuleno[6,5-b]furan-2(3H)-one [ACD/IUPAC Name]
(3aR,4aR,5R,7aS,9aR)-5-Hydroxy-5-methyl-3,8-dimethylendecahydroazuleno[6,5-b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(3aR,4aR,5R,7aS,9aR)-5-Hydroxy-5-méthyl-3,8-diméthylènedécahydroazuléno[6,5-b]furan-2(3H)-one [French] [ACD/IUPAC Name]
8-epiinuviscolide
Azuleno[6,5-b]furan-2(3H)-one, decahydro-5-hydroxy-5-methyl-3,8-bis(methylene)-, (3aR,4aR,5R,7aS,9aR)- [ACD/Index Name]
(3aR,4aR,5R,7aS,9aR)-5-hydroxy-5-methyl-3,8-dimethylidenedecahydroazuleno[6,5-b]furan-2(3H)-one

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: 1.73
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.84
ACD/KOC (pH 5.5): 251.45
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.84
ACD/KOC (pH 7.4): 251.45
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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