ChemSpider 2D Image | Diethyl 5-{[(2,4-dioxo-1,5-dioxaspiro[5.5]undec-3-ylidene)methyl]amino}-3-methyl-2,4-thiophenedicarboxylate | C21H25NO8S

Diethyl 5-{[(2,4-dioxo-1,5-dioxaspiro[5.5]undec-3-ylidene)methyl]amino}-3-methyl-2,4-thiophenedicarboxylate

  • Molecular FormulaC21H25NO8S
  • Average mass451.490 Da
  • Monoisotopic mass451.130096 Da
  • ChemSpider ID26308982

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[[(2,4-dioxo-1,5-dioxaspiro[5.5]undec-3-ylidene)methyl]amino]-3-methyl-, diethyl ester [ACD/Index Name]
5-{[(2,4-Dioxo-1,5-dioxaspiro[5.5]undéc-3-ylidène)méthyl]amino}-3-méthyl-2,4-thiophènedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5-{[(2,4-dioxo-1,5-dioxaspiro[5.5]undec-3-ylidene)methyl]amino}-3-methyl-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
Diethyl-5-{[(2,4-dioxo-1,5-dioxaspiro[5.5]undec-3-yliden)methyl]amino}-3-methyl-2,4-thiophendicarboxylat [German] [ACD/IUPAC Name]
1171458-63-1 [RN]
2,4-diethyl 5-[({2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene}methyl)amino]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-3-methylthiophene-2,4-dicarboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 647.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.4±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 110.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 647.23
ACD/KOC (pH 5.5): 3578.98
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 647.23
ACD/KOC (pH 7.4): 3578.98
Polar Surface Area: 145 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 332.1±5.0 cm3

Click to predict properties on the Chemicalize site


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