ChemSpider 2D Image | 1,3-Dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2,4-pentadien-1-ylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione | C29H42N4O6

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

  • Molecular FormulaC29H42N4O6
  • Average mass542.667 Da
  • Monoisotopic mass542.310425 Da
  • ChemSpider ID4785188

  • 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-2,4-dioxo-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-2,4-dioxo-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-2,4-dioxo-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-2,4-dioxo-5-pyrimidinyl)-2,4-pentadien-1-ylidene]- [ACD/Index Name]
1,3-dibutyl-5-[5-(1,3-dibutyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)penta-2,4-dien-1-ylidene]-1,3-diazinane-2,4,6-trione
bis-(1,3-dibutylbarbituric acid)pentamethine oxanol
Bis(1,3-dibutylbarbituric acid)pentamethine oxonol
diBA-(5)-C4
DiBAC4(5)
oxalon dye

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

14780_FLUKA [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 576.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.1±6.0 kJ/mol
Flash Point: 302.2±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 152.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 146.76
ACD/KOC (pH 5.5): 967.10
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 3.27
ACD/KOC (pH 7.4): 21.52
Polar Surface Area: 119 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 446.4±3.0 cm3

Click to predict properties on the Chemicalize site


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