ChemSpider 2D Image | Methyl (3E,3aR,4aS,9aR,9bR)-3-ethylidene-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylate | C15H14O6

Methyl (3E,3aR,4aS,9aR,9bR)-3-ethylidene-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylate

  • Molecular FormulaC15H14O6
  • Average mass290.268 Da
  • Monoisotopic mass290.079041 Da
  • ChemSpider ID98612692

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3E,3aR,4aS,9aR,9bR)-3-Éthylidène-2-oxo-3,3a,7a,9b-tétrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indène-7-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H,4aH-1,4,5-Trioxadicyclopent[a,hi]indene-7-carboxylic acid, 3-ethylidene-3,3a,7a,9b-tetrahydro-2-oxo-, methyl ester, (3E,3aR,4aS,9aR,9bR)- [ACD/Index Name]
Methyl (3E,3aR,4aS,9aR,9bR)-3-ethylidene-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylate [ACD/IUPAC Name]
Methyl-(3E,3aR,4aS,9aR,9bR)-3-ethyliden-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]inden-7-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 510.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 230.5±30.2 °C
Index of Refraction: 1.606
Molar Refractivity: 69.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.93
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.69
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.69
Polar Surface Area: 71 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 202.1±5.0 cm3

Click to predict properties on the Chemicalize site


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