ChemSpider 2D Image | (2R,3aS,7aS)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}octahydro-1H-indole-2-carboxylic acid | C14H23NO4

(2R,3aS,7aS)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}octahydro-1H-indole-2-carboxylic acid

  • Molecular FormulaC14H23NO4
  • Average mass269.337 Da
  • Monoisotopic mass269.162720 Da
  • ChemSpider ID32810028

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3aS,7aS)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}octahydro-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
(2R,3aS,7aS)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}octahydro-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
1H-Indole-1,2-dicarboxylic acid, octahydro-, 1-(1,1-dimethylethyl) ester, (2R,3aS,7aS)- [ACD/Index Name]
Acide (2R,3aS,7aS)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}octahydro-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]
(2R,3aS,7aS)-1-tert-butoxycarbonyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
2382052-02-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 400.9±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.5±6.0 kJ/mol
Flash Point: 196.2±24.0 °C
Index of Refraction: 1.513
Molar Refractivity: 69.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 3.55
ACD/KOC (pH 5.5): 32.74
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 231.2±3.0 cm3

Click to predict properties on the Chemicalize site


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