ChemSpider 2D Image | 2-Cyclohexyl 4-ethyl 5-{[(4-butylcyclohexyl)carbonyl]amino}-3-methyl-2,4-thiophenedicarboxylate | C26H39NO5S

2-Cyclohexyl 4-ethyl 5-{[(4-butylcyclohexyl)carbonyl]amino}-3-methyl-2,4-thiophenedicarboxylate

  • Molecular FormulaC26H39NO5S
  • Average mass477.657 Da
  • Monoisotopic mass477.254883 Da
  • ChemSpider ID27297382

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[[(4-butylcyclohexyl)carbonyl]amino]-3-methyl-, 2-cyclohexyl 4-ethyl ester [ACD/Index Name]
2-Cyclohexyl 4-ethyl 5-{[(4-butylcyclohexyl)carbonyl]amino}-3-methyl-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
2-Cyclohexyl-4-ethyl-5-{[(4-butylcyclohexyl)carbonyl]amino}-3-methyl-2,4-thiophendicarboxylat [German] [ACD/IUPAC Name]
5-{[(4-Butylcyclohexyl)carbonyl]amino}-3-méthyl-2,4-thiophènedicarboxylate de 2-cyclohexyle et de 4-éthyle [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: 613.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 324.9±31.5 °C
Index of Refraction: 1.544
Molar Refractivity: 130.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 9.41
ACD/LogD (pH 5.5): 8.05
ACD/BCF (pH 5.5): 770175.19
ACD/KOC (pH 5.5): 569102.31
ACD/LogD (pH 7.4): 8.05
ACD/BCF (pH 7.4): 770174.38
ACD/KOC (pH 7.4): 569101.69
Polar Surface Area: 110 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 412.1±5.0 cm3

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