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Search term: BCBLXJFEEULQKH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Methoxyethyl 5-[(3-methoxy-3-oxopropyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate | C15H22N2O6

2-Methoxyethyl 5-[(3-methoxy-3-oxopropyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

  • Molecular FormulaC15H22N2O6
  • Average mass326.345 Da
  • Monoisotopic mass326.147797 Da
  • ChemSpider ID30024351

More details:

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

1H-Pyrrole-3-carboxylic acid, 5-[[(3-methoxy-3-oxopropyl)amino]carbonyl]-2,4-dimethyl-, 2-methoxyethyl ester [ACD/Index Name]
2-Methoxyethyl 5-[(3-methoxy-3-oxopropyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
2-Methoxyethyl-5-[(3-methoxy-3-oxopropyl)carbamoyl]-2,4-dimethyl-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]
5-[(3-Méthoxy-3-oxopropyl)carbamoyl]-2,4-diméthyl-1H-pyrrole-3-carboxylate de 2-méthoxyéthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 452.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 227.3±28.7 °C
Index of Refraction: 1.520
Molar Refractivity: 82.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.17
ACD/KOC (pH 5.5): 208.18
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.17
ACD/KOC (pH 7.4): 208.18
Polar Surface Area: 107 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 270.9±3.0 cm3

Click to predict properties on the Chemicalize site


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