ChemSpider 2D Image | 1-tert-butyl 2-ethyl 5-methyl-1H-indole-1,2-dicarboxylate | C17H21NO4

1-tert-butyl 2-ethyl 5-methyl-1H-indole-1,2-dicarboxylate

  • Molecular FormulaC17H21NO4
  • Average mass303.353 Da
  • Monoisotopic mass303.147064 Da
  • ChemSpider ID28425302

More details:

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

1233086-44-6 [RN]
1H-Indole-1,2-dicarboxylic acid, 5-methyl-, 1-(1,1-dimethylethyl) 2-ethyl ester [ACD/Index Name]
1-tert-butyl 2-ethyl 5-methyl-1H-indole-1,2-dicarboxylate
2-Ethyl 1-(2-methyl-2-propanyl) 5-methyl-1H-indole-1,2-dicarboxylate [ACD/IUPAC Name]
2-Ethyl-1-(2-methyl-2-propanyl)-5-methyl-1H-indol-1,2-dicarboxylat [German] [ACD/IUPAC Name]
5-Méthyl-1H-indole-1,2-dicarboxylate de 2-éthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1-(tert-butyl) 2-ethyl 5-methyl-1H-indole-1,2-dicarboxylate
1-tert-Butyl 2-ethyl 5-methylindole-1,2-dicarboxylate
5-Methyl-1H-indole-1,2-dicarboxylic acid 1-(1,1-dimethylethyl) 2-ethyl ester
MFCD21606645 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 416.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 205.8±26.5 °C
Index of Refraction: 1.537
Molar Refractivity: 83.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1082.06
ACD/KOC (pH 5.5): 5170.30
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1082.06
ACD/KOC (pH 7.4): 5170.30
Polar Surface Area: 58 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 36.9±7.0 dyne/cm
Molar Volume: 268.6±7.0 cm3

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