ChemSpider 2D Image | Methyl (2S,4aS,10aS)-8-ethyl-9-hydroxy-2,4,4,7-tetramethyl-3,5,10-trioxo-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]chromene-2-carboxylate | C21H24O7

Methyl (2S,4aS,10aS)-8-ethyl-9-hydroxy-2,4,4,7-tetramethyl-3,5,10-trioxo-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]chromene-2-carboxylate

  • Molecular FormulaC21H24O7
  • Average mass388.411 Da
  • Monoisotopic mass388.152191 Da
  • ChemSpider ID57642173

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,4aS,10aS)-8-Éthyl-9-hydroxy-2,4,4,7-tétraméthyl-3,5,10-trioxo-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]chromène-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-Naphtho[2,3-b]pyran-2-carboxylic acid, 8-ethyl-3,4,4a,5,10,10a-hexahydro-9-hydroxy-2,4,4,7-tetramethyl-3,5,10-trioxo-, methyl ester, (2S,4aS,10aS)- [ACD/Index Name]
Methyl (2S,4aS,10aS)-8-ethyl-9-hydroxy-2,4,4,7-tetramethyl-3,5,10-trioxo-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]chromene-2-carboxylate [ACD/IUPAC Name]
Methyl-(2S,4aS,10aS)-8-ethyl-9-hydroxy-2,4,4,7-tetramethyl-3,5,10-trioxo-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]chromen-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 574.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 200.7±23.6 °C
Index of Refraction: 1.544
Molar Refractivity: 98.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1384.22
ACD/KOC (pH 5.5): 6106.83
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 378.86
ACD/KOC (pH 7.4): 1671.44
Polar Surface Area: 107 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 310.7±3.0 cm3

Click to predict properties on the Chemicalize site


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