ChemSpider 2D Image | 2-Methyl-2-propanyl 4-oxooctahydro-1H-indole-1-carboxylate | C13H21NO3

2-Methyl-2-propanyl 4-oxooctahydro-1H-indole-1-carboxylate

  • Molecular FormulaC13H21NO3
  • Average mass239.311 Da
  • Monoisotopic mass239.152145 Da
  • ChemSpider ID28600266

More details:






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

1H-Indole-1-carboxylic acid, octahydro-4-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-oxooctahydro-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-oxooctahydro-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
4-Oxooctahydro-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(3aR,7aR)-tert-butyl 4-oxooctahydro-1H-indole-1-carboxylate
1332584-12-9 [RN]
1-methyl-1H-pyrrol-2(5H)-one
1-methyl-1H-pyrrole-2(5H)-one
543910-34-5 [RN]
CS-15009
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 342.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.7±3.0 kJ/mol
Flash Point: 161.2±23.2 °C
Index of Refraction: 1.501
Molar Refractivity: 63.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.15
ACD/KOC (pH 5.5): 207.93
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.15
ACD/KOC (pH 7.4): 207.93
Polar Surface Area: 47 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 215.4±3.0 cm3

Click to predict properties on the Chemicalize site






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