ChemSpider 2D Image | 1,3-Dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-6-hydroxy-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2,4-pentadien-1-ylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione | C29H44N4O5

1,3-Dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-6-hydroxy-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2,4-pentadien-1-ylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC29H44N4O5
  • Average mass528.683 Da
  • Monoisotopic mass528.331177 Da
  • ChemSpider ID21477325

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-6-hydroxy-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2,4-pentadien-1-yliden]-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
1,3-Dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-6-hydroxy-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2,4-pentadien-1-ylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
1,3-Dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-6-hydroxy-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinyl)-2,4-pentadién-1-ylidène]-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-1,2,3,4-tetrahydro-6-hydroxy-2-oxo-5-pyrimidinyl)-2,4-pentadien-1-ylidene]- [ACD/Index Name]
1,3-dibutyl-5-[(E)-3-(1,3-dibutyl-6-hydroxy-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-propenylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 610.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.0±6.0 kJ/mol
Flash Point: 322.9±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 151.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 61.80
ACD/KOC (pH 5.5): 463.84
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 1.14
ACD/KOC (pH 7.4): 8.58
Polar Surface Area: 101 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 449.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement