ChemSpider 2D Image | [2,5-Dioxo-3-(2-propyn-1-yl)-1-imidazolidinyl]methyl 2,2-dimethyl-3-[2-(~2~H_3_)methyl(3,3,3-~2~H_3_)-1-propen-1-yl]cyclopropanecarboxylate | C17H16D6N2O4

[2,5-Dioxo-3-(2-propyn-1-yl)-1-imidazolidinyl]methyl 2,2-dimethyl-3-[2-(2H3)methyl(3,3,3-2H3)-1-propen-1-yl]cyclopropanecarboxylate

  • Molecular FormulaC17H16D6N2O4
  • Average mass324.405 Da
  • Monoisotopic mass324.195618 Da
  • ChemSpider ID128918636

  • Non-standard isotope - Non-standard isotope

More details:

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

[2,5-Dioxo-3-(2-propin-1-yl)-1-imidazolidinyl]methyl-2,2-dimethyl-3-[2-(2H3)methyl(3,3,3-2H3)-1-propen-1-yl]cyclopropancarboxylat [German] [ACD/IUPAC Name]
[2,5-Dioxo-3-(2-propyn-1-yl)-1-imidazolidinyl]methyl 2,2-dimethyl-3-[2-(2H3)methyl(3,3,3-2H3)-1-propen-1-yl]cyclopropanecarboxylate [ACD/IUPAC Name]
2,2-Diméthyl-3-[2-(2H3)méthyl(3,3,3-2H3)-1-propén-1-yl]cyclopropanecarboxylate de [2,5-dioxo-3-(2-propyn-1-yl)-1-imidazolidinyl]méthyle [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-[2-(methyl-d3)-1-propen-1-yl-3,3,3-d3]-, [2,5-dioxo-3-(2-propyn-1-yl)-1-imidazolidinyl]methyl ester [ACD/Index 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: 403.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 197.6±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 85.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 112.83
ACD/KOC (pH 5.5): 1025.05
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 112.83
ACD/KOC (pH 7.4): 1025.05
Polar Surface Area: 67 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 259.2±3.0 cm3

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