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

5-[(2S)-2-Pentanyl]-5-vinyl-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC11H16N2O3
  • Average mass224.256 Da
  • Monoisotopic mass224.116089 Da
  • ChemSpider ID34984172

  • 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-ethenyl-5-[(1S)-1-methylbutyl]- [ACD/Index Name]
5-[(2S)-2-Pentanyl]-5-vinyl-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
5-[(2S)-2-Pentanyl]-5-vinyl-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
5-[(2S)-2-Pentanyl]-5-vinyl-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
219-395-8 [EINECS]
2430-49-1 [RN]
UNII-3W58ITX06Q
Vinylbital [INN] [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.529
Molar Refractivity: 59.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.36
ACD/KOC (pH 5.5): 197.70
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 6.63
ACD/KOC (pH 7.4): 115.36
Polar Surface Area: 75 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 192.4±3.0 cm3

Click to predict properties on the Chemicalize site


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