ChemSpider 2D Image | Ethyl 5-(2,2-diphenylacetoxy)-1,2-dimethyl-3a,7a-dihydro-1H-indole-3-carboxylate | C27H27NO4

Ethyl 5-(2,2-diphenylacetoxy)-1,2-dimethyl-3a,7a-dihydro-1H-indole-3-carboxylate

  • Molecular FormulaC27H27NO4
  • Average mass429.508 Da
  • Monoisotopic mass429.194000 Da
  • ChemSpider ID21762710

More details:






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

1H-Indole-3-carboxylic acid, 5-[(2,2-diphenylacetyl)oxy]-3a,7a-dihydro-1,2-dimethyl-, ethyl ester [ACD/Index Name]
5-(2,2-Diphénylacétoxy)-1,2-diméthyl-3a,7a-dihydro-1H-indole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-(2,2-diphenylacetoxy)-1,2-dimethyl-3a,7a-dihydro-1H-indole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-(2,2-diphenylacetoxy)-1,2-dimethyl-3a,7a-dihydro-1H-indol-3-carboxylat [German] [ACD/IUPAC Name]
1011566-80-5 [RN]
C27H27NO4

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 587.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 309.2±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 123.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7215.90
ACD/KOC (pH 5.5): 20047.34
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7291.22
ACD/KOC (pH 7.4): 20256.61
Polar Surface Area: 56 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 350.4±5.0 cm3

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