ChemSpider 2D Image | 4-[(Z)-{1-[2-(1-Cyclohexen-1-yl)ethyl]-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene}methyl]benzoate | C23H24NO5

4-[(Z)-{1-[2-(1-Cyclohexen-1-yl)ethyl]-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene}methyl]benzoate

  • Molecular FormulaC23H24NO5
  • Average mass394.441 Da
  • Monoisotopic mass394.165985 Da
  • ChemSpider ID21217422

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrrole-3-carboxylic acid, 4-[(4-carboxyphenyl)methylene]-1-[2-(1-cyclohexen-1-yl)ethyl]-4,5-dihydro-2-methyl-5-oxo-, 3-methyl ester, ion(1-), (4Z)- [ACD/Index Name]
4-[(Z)-{1-[2-(1-Cyclohexen-1-yl)ethyl]-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-yliden}methyl]benzoat [German] [ACD/IUPAC Name]
4-[(Z)-{1-[2-(1-Cyclohexen-1-yl)ethyl]-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene}methyl]benzoate [ACD/IUPAC Name]
4-[(Z)-{1-[2-(1-Cyclohexén-1-yl)éthyl]-4-(méthoxycarbonyl)-5-méthyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidène}méthyl]benzoate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 621.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 329.4±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 21.67
ACD/KOC (pH 5.5): 113.62
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.33
Polar Surface Area: 87 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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