ChemSpider 2D Image | 5-Allyl-5-[(2S)-2-butanyl]-2,4,6(1H,3H,5H)-pyrimidinetrione | C11H16N2O3

5-Allyl-5-[(2S)-2-butanyl]-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC11H16N2O3
  • Average mass224.256 Da
  • Monoisotopic mass224.116089 Da
  • ChemSpider ID34984933

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(1S)-1-methylpropyl]-5-(2-propen-1-yl)- [ACD/Index Name]
5-Allyl-5-[(2S)-2-butanyl]-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
5-Allyl-5-[(2S)-2-butanyl]-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
5-Allyl-5-[(2S)-2-butanyl]-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
115-44-6 [RN]
204-090-4 [EINECS]
Talbutal [INN] [Wiki]
UNII-4YIR8202AX

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: 1.476
Molar Refractivity: 57.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.61
ACD/KOC (pH 5.5): 188.44
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 7.69
ACD/KOC (pH 7.4): 136.53
Polar Surface Area: 75 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 204.2±3.0 cm3

Click to predict properties on the Chemicalize site


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