ChemSpider 2D Image | (2E)-3-[7-Ethyl-3-(2-hydroxyethyl)-1H-indol-2-yl](5,5,5-~2~H_3_)-2-pentenoic acid | C17H18D3NO3

(2E)-3-[7-Ethyl-3-(2-hydroxyethyl)-1H-indol-2-yl](5,5,5-2H3)-2-pentenoic acid

  • Molecular FormulaC17H18D3NO3
  • Average mass290.372 Da
  • Monoisotopic mass290.170959 Da
  • ChemSpider ID107439341

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-3-[7-Ethyl-3-(2-hydroxyethyl)-1H-indol-2-yl](5,5,5-2H3)-2-pentenoic acid [ACD/IUPAC Name]
(2E)-3-[7-Ethyl-3-(2-hydroxyethyl)-1H-indol-2-yl](5,5,5-2H3)-2-pentensäure [German] [ACD/IUPAC Name]
2-Pentenoic-5,5,5-d3 acid, 3-[7-ethyl-3-(2-hydroxyethyl)-1H-indol-2-yl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-[7-éthyl-3-(2-hydroxyéthyl)-1H-indol-2-yl](5,5,5-2H3)-2-penténoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 516.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 266.0±28.7 °C
Index of Refraction: 1.632
Molar Refractivity: 84.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 45.10
ACD/KOC (pH 5.5): 420.50
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.02
ACD/KOC (pH 7.4): 9.49
Polar Surface Area: 73 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 237.0±3.0 cm3

Click to predict properties on the Chemicalize site


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