ChemSpider 2D Image | 5,5'-[(1E,3E)-1,3-Pentadien-1-yl-5-ylidene]bis(1,3-dibutyl-2,4,6(1H,3H,5H)-pyrimidinetrione) | C29H42N4O6

5,5'-[(1E,3E)-1,3-Pentadien-1-yl-5-ylidene]bis(1,3-dibutyl-2,4,6(1H,3H,5H)-pyrimidinetrione)

  • Molecular FormulaC29H42N4O6
  • Average mass542.667 Da
  • Monoisotopic mass542.310425 Da
  • ChemSpider ID17207790

  • Double-bond stereo - Double-bond stereo

More details:

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

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-[(1E,3E)-1,3-pentadien-1-yl-5-ylidene]bis[1,3-dibutyl- [ACD/Index Name]
5,5'-[(1E,3E)-1,3-Pentadien-1-yl-5-yliden]bis(1,3-dibutyl-2,4,6(1H,3H,5H)-pyrimidintrion) [German] [ACD/IUPAC Name]
5,5'-[(1E,3E)-1,3-Pentadien-1-yl-5-ylidene]bis(1,3-dibutyl-2,4,6(1H,3H,5H)-pyrimidinetrione) [ACD/IUPAC Name]
5,5'-[(1E,3E)-1,3-Pentadién-1-yl-5-ylidène]bis(1,3-dibutyl-2,4,6(1H,3H,5H)-pyrimidinetrione) [French] [ACD/IUPAC Name]
63560-89-4 [RN]
1,3-dibutyl-5-(5-(1,3-dibutylhexahydro-2,4,6-trioxo-5-pyrimidinyl)-2,4-pentadien-1-ylidene)-2,4,6(1h,3h,5h)pyrimidinetrione
1,3-Dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-2,4,6-trioxohexahydropyrimidin-5-yl)penta-2,4-dien-1-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
1,3-DIBUTYL-5-[5-(1,3-DIBUTYL-2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE)PENTA-1,3-DIEN-1-YL]-1,3-DIAZINANE-2,4,6-TRIONE
1,3-dibutyl-5-[5-(1,3-dibutylhexahydro-2,4,6-trioxo-5-pyrimidinyl)-2,4-pentadien-1-ylidene]-2,4,6(1h,3h,5h)pyrimidinetrione
1,3-dibutyl-5-[5-(1,3-dibutylhexahydro-2,4,6-trioxo-5-pyrimidinyl)-2,4-pentadien-1-ylidene]-2,4,6(1h,3h,5H)-pyrimidinetrione
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 642.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 244.4±26.6 °C
Index of Refraction: 1.575
Molar Refractivity: 150.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 29.70
ACD/KOC (pH 5.5): 236.10
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.01
ACD/KOC (pH 7.4): 8.01
Polar Surface Area: 115 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 456.7±3.0 cm3

Click to predict properties on the Chemicalize site


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