ChemSpider 2D Image | Ethyl 2-(7-ethoxy-3-methyl-7-oxo-1,3,5-heptatrien-1-yl)-1,3-dimethyl-4-oxocyclohexanecarboxylate | C21H30O5

Ethyl 2-(7-ethoxy-3-methyl-7-oxo-1,3,5-heptatrien-1-yl)-1,3-dimethyl-4-oxocyclohexanecarboxylate

  • Molecular FormulaC21H30O5
  • Average mass362.460 Da
  • Monoisotopic mass362.209320 Da
  • ChemSpider ID26558613

More details:

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

2-(7-Éthoxy-3-méthyl-7-oxo-1,3,5-heptatrién-1-yl)-1,3-diméthyl-4-oxocyclohexanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 2-(7-ethoxy-3-methyl-7-oxo-1,3,5-heptatrien-1-yl)-1,3-dimethyl-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 2-(7-ethoxy-3-methyl-7-oxo-1,3,5-heptatrien-1-yl)-1,3-dimethyl-4-oxocyclohexanecarboxylate [ACD/IUPAC Name]
Ethyl-2-(7-ethoxy-3-methyl-7-oxo-1,3,5-heptatrien-1-yl)-1,3-dimethyl-4-oxocyclohexancarboxylat [German] [ACD/IUPAC Name]
104544-35-6 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 468.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 201.3±28.8 °C
Index of Refraction: 1.520
Molar Refractivity: 102.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 939.70
ACD/KOC (pH 5.5): 4673.77
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 939.70
ACD/KOC (pH 7.4): 4673.77
Polar Surface Area: 70 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 337.4±3.0 cm3

Click to predict properties on the Chemicalize site


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