ChemSpider 2D Image | 5-[(1,1-Dimethyl-2,3-dihydro-1H-inden-4-yl)methyl]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione | C18H22N2O3

5-[(1,1-Dimethyl-2,3-dihydro-1H-inden-4-yl)methyl]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC18H22N2O3
  • Average mass314.379 Da
  • Monoisotopic mass314.163055 Da
  • ChemSpider ID30660233

More details:

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

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)methyl]-1,3-dimethyl- [ACD/Index Name]
5-[(1,1-Dimethyl-2,3-dihydro-1H-inden-4-yl)methyl]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
5-[(1,1-Diméthyl-2,3-dihydro-1H-indén-4-yl)méthyl]-1,3-diméthyl-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
5-[(1,1-Dimethyl-2,3-dihydro-1H-inden-4-yl)methyl]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC 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: 410.2±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 164.2±21.9 °C
Index of Refraction: 1.566
Molar Refractivity: 86.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 7.01
ACD/KOC (pH 5.5): 68.84
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.57
Polar Surface Area: 58 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 263.9±3.0 cm3

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