ChemSpider 2D Image | Ethyl (~2~H_3_)methyl 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 | C25H28D3NO6

Ethyl (2H3)methyl 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 FormulaC25H28D3NO6
  • Average mass444.535 Da
  • Monoisotopic mass444.233978 Da
  • ChemSpider ID107433698

  • 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 (2H3)méthyle [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 methyl-d3 ester [ACD/Index Name]
Ethyl (2H3)methyl 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-(2H3)methyl-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: 547.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 285.0±30.1 °C
Index of Refraction: 1.543
Molar Refractivity: 122.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3336.15
ACD/KOC (pH 5.5): 11566.68
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 3344.84
ACD/KOC (pH 7.4): 11596.81
Polar Surface Area: 91 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 387.5±3.0 cm3

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