ChemSpider 2D Image | 5-Allyl-5-(3-hexyn-2-yl)-1-(~2~H_3_)methyl-2,4,6(1H,3H,5H)-pyrimidinetrione | C14H15D3N2O3

5-Allyl-5-(3-hexyn-2-yl)-1-(2H3)methyl-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC14H15D3N2O3
  • Average mass265.323 Da
  • Monoisotopic mass265.150574 Da
  • ChemSpider ID48063213

  • Non-standard isotope - Non-standard isotope

More details:

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

2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(methyl-d3)-5-(1-methyl-2-pentyn-1-yl)-5-(2-propen-1-yl)- [ACD/Index Name]
5-Allyl-5-(3-hexin-2-yl)-1-(2H3)methyl-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
5-Allyl-5-(3-hexyn-2-yl)-1-(2H3)methyl-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
5-Allyl-5-(3-hexyn-2-yl)-1-(2H3)méthyl-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
1794945-74-6 [RN]
5-hex-3-yn-2-yl-5-prop-2-enyl-1-(trideuteriomethyl)-1,3-diazinane-2,4,6-trione

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.505
Molar Refractivity: 69.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.64
ACD/KOC (pH 5.5): 374.04
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 20.22
ACD/KOC (pH 7.4): 273.53
Polar Surface Area: 66 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 235.6±3.0 cm3

Click to predict properties on the Chemicalize site


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