ChemSpider 2D Image | Methyl 1-[(2E)-3-(3-chloro-4-isopropoxy-5-methoxyphenyl)-2-propenoyl]-4-piperidinecarboxylate | C20H26ClNO5

Methyl 1-[(2E)-3-(3-chloro-4-isopropoxy-5-methoxyphenyl)-2-propenoyl]-4-piperidinecarboxylate

  • Molecular FormulaC20H26ClNO5
  • Average mass395.877 Da
  • Monoisotopic mass395.149963 Da
  • ChemSpider ID30561749
  • Double-bond stereo - Double-bond stereo


More details:






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

1-[(2E)-3-(3-Chloro-4-isopropoxy-5-méthoxyphényl)-2-propenoyl]-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[(2E)-3-[3-chloro-5-methoxy-4-(1-methylethoxy)phenyl]-1-oxo-2-propen-1-yl]-, methyl ester [ACD/Index Name]
Methyl 1-[(2E)-3-(3-chloro-4-isopropoxy-5-methoxyphenyl)-2-propenoyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-1-[(2E)-3-(3-chlor-4-isopropoxy-5-methoxyphenyl)-2-propenoyl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 553.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 288.7±30.1 °C
Index of Refraction: 1.553
Molar Refractivity: 105.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 218.43
ACD/KOC (pH 5.5): 1644.69
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 218.43
ACD/KOC (pH 7.4): 1644.69
Polar Surface Area: 65 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 328.6±3.0 cm3

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