ChemSpider 2D Image | (E)-{1-[3-(Diethylammonio)propyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4,5-dioxo-3-pyrrolidinylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate | C30H41N3O5

(E)-{1-[3-(Diethylammonio)propyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4,5-dioxo-3-pyrrolidinylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

  • Molecular FormulaC30H41N3O5
  • Average mass523.664 Da
  • Monoisotopic mass523.304626 Da
  • ChemSpider ID4703970
  • Double-bond stereo - Double-bond stereo


More details:






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

(E)-{1-[3-(Diethylammonio)propyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4,5-dioxo-3-pyrrolidinyliden}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolat [German] [ACD/IUPAC Name]
(E)-{1-[3-(Diethylammonio)propyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4,5-dioxo-3-pyrrolidinylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate [ACD/IUPAC Name]
(E)-{1-[3-(Diéthylammonio)propyl]-2-[4-(2-méthyl-2-propanyl)phényl]-4,5-dioxo-3-pyrrolidinylidène}[5-(méthoxycarbonyl)-2,4-diméthyl-1H-pyrrol-3-yl]méthanolate [French] [ACD/IUPAC Name]
1-Pyrrolidinepropanaminium, 2-[4-(1,1-dimethylethyl)phenyl]-N,N-diethyl-3-[hydroxy[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methylene]-4,5-dioxo-, inner salt, (3E)- [ACD/Index Name]
(E)-{2-(4-tert-butylphenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
methyl 4-[(E)-[2-(4-tert-butylphenyl)-1-[3-(diethylamino)propyl]-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 670.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 359.1±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 12.86
ACD/KOC (pH 5.5): 41.34
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 13.76
ACD/KOC (pH 7.4): 44.25
Polar Surface Area: 107 Å2
Polarizability:
Surface Tension:
Molar Volume:

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