ChemSpider 2D Image | Diethyl 5-[(3E)-3-cyano-2-oxo-4-(3,4,5-trimethoxyphenyl)-3-buten-1-yl]-3-methyl-2,4-thiophenedicarboxylate | C25H27NO8S

Diethyl 5-[(3E)-3-cyano-2-oxo-4-(3,4,5-trimethoxyphenyl)-3-buten-1-yl]-3-methyl-2,4-thiophenedicarboxylate

  • Molecular FormulaC25H27NO8S
  • Average mass501.549 Da
  • Monoisotopic mass501.145752 Da
  • ChemSpider ID68267999

  • Double-bond stereo - Double-bond stereo

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[(3E)-3-cyano-2-oxo-4-(3,4,5-trimethoxyphenyl)-3-buten-1-yl]-3-methyl-, diethyl ester [ACD/Index Name]
5-[(3E)-3-Cyano-2-oxo-4-(3,4,5-triméthoxyphényl)-3-butén-1-yl]-3-méthyl-2,4-thiophènedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5-[(3E)-3-cyano-2-oxo-4-(3,4,5-trimethoxyphenyl)-3-buten-1-yl]-3-methyl-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
Diethyl-5-[(3E)-3-cyan-2-oxo-4-(3,4,5-trimethoxyphenyl)-3-buten-1-yl]-3-methyl-2,4-thiophendicarboxylat [German] [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: 665.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.4±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 131.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2284.37
ACD/KOC (pH 5.5): 8826.75
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2284.37
ACD/KOC (pH 7.4): 8826.75
Polar Surface Area: 149 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 401.0±3.0 cm3

Click to predict properties on the Chemicalize site


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