ChemSpider 2D Image | Ethyl {4-[(E)-{(3Z)-3-[4-(2-ethoxy-2-oxoethoxy)-3-methoxybenzylidene]-2-oxocyclohexylidene}methyl]-2-methoxyphenoxy}acetate | C30H34O9

Ethyl {4-[(E)-{(3Z)-3-[4-(2-ethoxy-2-oxoethoxy)-3-methoxybenzylidene]-2-oxocyclohexylidene}methyl]-2-methoxyphenoxy}acetate

  • Molecular FormulaC30H34O9
  • Average mass538.586 Da
  • Monoisotopic mass538.220276 Da
  • ChemSpider ID12524521

  • Double-bond stereo - Double-bond stereo

More details:

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

{4-[(E)-{(3Z)-3-[4-(2-Éthoxy-2-oxoéthoxy)-3-méthoxybenzylidène]-2-oxocyclohexylidène}méthyl]-2-méthoxyphénoxy}acétate d'éthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[4-[(E)-[(3Z)-3-[[4-(2-ethoxy-2-oxoethoxy)-3-methoxyphenyl]methylene]-2-oxocyclohexylidene]methyl]-2-methoxyphenoxy]-, ethyl ester [ACD/Index Name]
Ethyl {4-[(E)-{(3Z)-3-[4-(2-ethoxy-2-oxoethoxy)-3-methoxybenzylidene]-2-oxocyclohexylidene}methyl]-2-methoxyphenoxy}acetate [ACD/IUPAC Name]
Ethyl-{4-[(E)-{(3Z)-3-[4-(2-ethoxy-2-oxoethoxy)-3-methoxybenzyliden]-2-oxocyclohexyliden}methyl]-2-methoxyphenoxy}acetat [German] [ACD/IUPAC Name]
{4-[3-(4-Ethoxycarbonylmethoxy-3-methoxy-benzylidene)-2-oxo-cyclohexylidenemethyl]-2-methoxy-phenoxy}-acetic acid ethyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 693.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 290.5±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 147.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1144.32
ACD/KOC (pH 5.5): 5381.54
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1144.32
ACD/KOC (pH 7.4): 5381.54
Polar Surface Area: 107 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 440.5±3.0 cm3

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