ChemSpider 2D Image | 1-{[5-(2-Methyl-2-propanyl)-1,2,4-oxadiazol-3-yl]methyl}-5-nitro-2,4(1H,3H)-pyrimidinedione | C11H13N5O5

1-{[5-(2-Methyl-2-propanyl)-1,2,4-oxadiazol-3-yl]methyl}-5-nitro-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC11H13N5O5
  • Average mass295.251 Da
  • Monoisotopic mass295.091675 Da
  • ChemSpider ID30471991

More details:

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

1-{[5-(2-Methyl-2-propanyl)-1,2,4-oxadiazol-3-yl]methyl}-5-nitro-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{[5-(2-Methyl-2-propanyl)-1,2,4-oxadiazol-3-yl]methyl}-5-nitro-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{[5-(2-Méthyl-2-propanyl)-1,2,4-oxadiazol-3-yl]méthyl}-5-nitro-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[[5-(1,1-dimethylethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.594
Molar Refractivity: 67.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.43
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.31
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.36
Polar Surface Area: 134 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 71.8±5.0 dyne/cm
Molar Volume: 200.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement