ChemSpider 2D Image | 5-(3-Ethoxy-4-{2-[4-(hexyloxy)phenoxy]ethoxy}benzylidene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione | C29H36N2O7

5-(3-Ethoxy-4-{2-[4-(hexyloxy)phenoxy]ethoxy}benzylidene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC29H36N2O7
  • Average mass524.605 Da
  • Monoisotopic mass524.252258 Da
  • ChemSpider ID3049603

More details:

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

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[3-ethoxy-4-[2-[4-(hexyloxy)phenoxy]ethoxy]phenyl]methylene]-1,3-dimethyl- [ACD/Index Name]
5-(3-Ethoxy-4-{2-[4-(hexyloxy)phenoxy]ethoxy}benzyliden)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
5-(3-Ethoxy-4-{2-[4-(hexyloxy)phenoxy]ethoxy}benzylidene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
5-(3-Éthoxy-4-{2-[4-(hexyloxy)phénoxy]éthoxy}benzylidène)-1,3-diméthyl-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
5-({3-ethoxy-4-[2-(4-hexyloxyphenoxy)ethoxy]phenyl}methylene)-1,3-dimethyl-1,3-dihydropyrimidine-2,4,6-trione
5-(3-ethoxy-4-{2-[4-(hexyloxy)phenoxy]ethoxy}benzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
5-[(3-ethoxy-4-{2-[4-(hexyloxy)phenoxy]ethoxy}phenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
5-{3-Ethoxy-4-[2-(4-hexyloxy-phenoxy)-ethoxy]-benzylidene}-1,3-dimethyl-pyrimidine-2,4,6-trione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 659.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.4±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 144.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3947.14
ACD/KOC (pH 5.5): 13056.07
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3947.14
ACD/KOC (pH 7.4): 13056.07
Polar Surface Area: 95 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 441.8±3.0 cm3

Click to predict properties on the Chemicalize site


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