ChemSpider 2D Image | 1-[3-(2-Carboxyethyl)benzyl]-3-dodecanoyl-1H-indole-2-carboxylic acid | C31H39NO5

1-[3-(2-Carboxyethyl)benzyl]-3-dodecanoyl-1H-indole-2-carboxylic acid

  • Molecular FormulaC31H39NO5
  • Average mass505.645 Da
  • Monoisotopic mass505.282837 Da
  • ChemSpider ID8800741

More details:

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

1-[3-(2-Carboxyethyl)benzyl]-3-dodecanoyl-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
1-[3-(2-Carboxyethyl)benzyl]-3-dodecanoyl-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
1H-Indole-2-carboxylic acid, 1-[[3-(2-carboxyethyl)phenyl]methyl]-3-(1-oxododecyl)- [ACD/Index Name]
Acide 1-[3-(2-carboxyéthyl)benzyl]-3-dodecanoyl-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]
1-[3-(2-Carboxy-ethyl)-benzyl]-3-dodecanoyl-1H-indole-2-carboxylic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 712.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 384.7±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 145.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 5139.86
ACD/KOC (pH 5.5): 3128.50
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 30.07
ACD/KOC (pH 7.4): 18.31
Polar Surface Area: 97 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 441.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement