ChemSpider 2D Image | Eupatolide | C15H20O3

Eupatolide

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID65323114

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aR,4R,6Z,10E,11aR)-4-Hydroxy-6,10-dimethyl-3-methylen-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(3aR,4R,6Z,10E,11aR)-4-Hydroxy-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one [ACD/IUPAC Name]
(3aR,4R,6Z,10E,11aR)-4-Hydroxy-6,10-diméthyl-3-méthylène-3a,4,5,8,9,11a-hexahydrocyclodéca[b]furan-2(3H)-one [French] [ACD/IUPAC Name]
Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-4-hydroxy-6,10-dimethyl-3-methylene-, (3aR,4R,6Z,10E,11aR)- [ACD/Index Name]
Eupatolide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 438.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±6.0 kJ/mol
Flash Point: 186.7±21.5 °C
Index of Refraction: 1.538
Molar Refractivity: 69.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.65
ACD/KOC (pH 5.5): 502.29
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.65
ACD/KOC (pH 7.4): 502.29
Polar Surface Area: 47 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 40.5±5.0 dyne/cm
Molar Volume: 222.5±5.0 cm3

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