ChemSpider 2D Image | Ethyl (2,2,2-~2~H_3_)ethyl 2,6-dimethyl-4-(2-{(1E)-3-[(2-methyl-2-propanyl)oxy]-3-oxo-1-propen-1-yl}phenyl)-1,4-dihydro-3,5-pyridinedicarboxylate | C26H30D3NO6

Ethyl (2,2,2-2H3)ethyl 2,6-dimethyl-4-(2-{(1E)-3-[(2-methyl-2-propanyl)oxy]-3-oxo-1-propen-1-yl}phenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC26H30D3NO6
  • Average mass458.562 Da
  • Monoisotopic mass458.249603 Da
  • ChemSpider ID28408670

  • 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

2,6-Diméthyl-4-(2-{(1E)-3-[(2-méthyl-2-propanyl)oxy]-3-oxo-1-propén-1-yl}phényl)-1,4-dihydro-3,5-pyridinedicarboxylate d'éthyle et de (2,2,2-2H3)éthyle [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 4-[2-[(1E)-3-(1,1-dimethylethoxy)-3-oxo-1-propen-1-yl]phenyl]-1,4-dihydro-2,6-dimethyl-, ethyl ethyl-2,2,2-d3 ester [ACD/Index Name]
Ethyl (2,2,2-2H3)ethyl 2,6-dimethyl-4-(2-{(1E)-3-[(2-methyl-2-propanyl)oxy]-3-oxo-1-propen-1-yl}phenyl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Ethyl-(2,2,2-2H3)ethyl-2,6-dimethyl-4-(2-{(1E)-3-[(2-methyl-2-propanyl)oxy]-3-oxo-1-propen-1-yl}phenyl)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 558.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.5±30.1 °C
Index of Refraction: 1.540
Molar Refractivity: 126.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5779.37
ACD/KOC (pH 5.5): 17137.98
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5797.27
ACD/KOC (pH 7.4): 17191.05
Polar Surface Area: 91 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 404.0±3.0 cm3

Click to predict properties on the Chemicalize site


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