ChemSpider 2D Image | Ethyl 3-{[(2E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-propenoyl]amino}cyclopentanecarboxylate | C20H26ClNO5

Ethyl 3-{[(2E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-propenoyl]amino}cyclopentanecarboxylate

  • Molecular FormulaC20H26ClNO5
  • Average mass395.877 Da
  • Monoisotopic mass395.149963 Da
  • ChemSpider ID30423621
  • Double-bond stereo - Double-bond stereo


More details:






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

3-{[(2E)-3-(3-Chloro-4-éthoxy-5-méthoxyphényl)-2-propenoyl]amino}cyclopentanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 3-[[(2E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-oxo-2-propen-1-yl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 3-{[(2E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-propenoyl]amino}cyclopentanecarboxylate [ACD/IUPAC Name]
Ethyl-3-{[(2E)-3-(3-chlor-4-ethoxy-5-methoxyphenyl)-2-propenoyl]amino}cyclopentancarboxylat [German] [ACD/IUPAC Name]
ETHYL 3-[(2E)-3-(3-CHLORO-4-ETHOXY-5-METHOXYPHENYL)PROP-2-ENAMIDO]CYCLOPENTANE-1-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 573.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 300.9±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 103.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 318.24
ACD/KOC (pH 5.5): 2153.17
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 318.24
ACD/KOC (pH 7.4): 2153.16
Polar Surface Area: 74 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 324.7±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement