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Search term: 8682797 (Found by CSID)
ChemSpider 2D Image | 4-Hydroxy-2,5-bis{[2-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl}-3,6-dioxo-1,4-cyclohexadien-1-yl acetate | C36H36N2O5

4-Hydroxy-2,5-bis{[2-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl}-3,6-dioxo-1,4-cyclohexadien-1-yl acetate

  • Molecular FormulaC36H36N2O5
  • Average mass576.681 Da
  • Monoisotopic mass576.262451 Da
  • ChemSpider ID8682797

More details:

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

2,5-Cyclohexadiene-1,4-dione, 2-(acetyloxy)-5-hydroxy-3,6-bis[[2-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl]- [ACD/Index Name]
4-Hydroxy-2,5-bis{[2-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl}-3,6-dioxo-1,4-cyclohexadien-1-yl acetate [ACD/IUPAC Name]
4-Hydroxy-2,5-bis{[2-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl}-3,6-dioxo-1,4-cyclohexadien-1-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-hydroxy-2,5-bis{[2-(3-méthyl-2-butén-1-yl)-1H-indol-3-yl]méthyl}-3,6-dioxo-1,4-cyclohexadién-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 790.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 431.9±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 166.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.24
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 739.93
ACD/KOC (pH 5.5): 682.71
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 119.42
ACD/KOC (pH 7.4): 110.18
Polar Surface Area: 112 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 446.6±5.0 cm3

Click to predict properties on the Chemicalize site


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