ChemSpider 2D Image | Diethyl 2,2'-{(2-oxo-1,3-cyclopentanediylidene)bis[methylylidene(2-methoxy-4,1-phenylene)oxy]}diacetate | C29H32O9

Diethyl 2,2'-{(2-oxo-1,3-cyclopentanediylidene)bis[methylylidene(2-methoxy-4,1-phenylene)oxy]}diacetate

  • Molecular FormulaC29H32O9
  • Average mass524.559 Da
  • Monoisotopic mass524.204651 Da
  • ChemSpider ID3507279

More details:

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

2,2'-{(2-Oxo-1,3-cyclopentanediylidène)bis[méthylylidène(2-méthoxy-4,1-phénylène)oxy]}diacétate de diéthyle [French] [ACD/IUPAC Name]
Acetic acid, 2,2'-[(2-oxo-1,3-cyclopentanediylidene)bis[methylidyne(2-methoxy-4,1-phenylene)oxy]]bis-, diethyl ester [ACD/Index Name]
Diethyl 2,2'-{(2-oxo-1,3-cyclopentanediylidene)bis[methylylidene(2-methoxy-4,1-phenylene)oxy]}diacetate [ACD/IUPAC Name]
Diethyl-2,2'-{(2-oxo-1,3-cyclopentandiyliden)bis[methylyliden(2-methoxy-4,1-phenylen)oxy]}diacetat [German] [ACD/IUPAC Name]
ethyl [4-({3-[4-(2-ethoxy-2-oxoethoxy)-3-methoxybenzylidene]-2-oxocyclopentylidene}methyl)-2-methoxyphenoxy]acetate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 688.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 289.6±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 142.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 620.27
ACD/KOC (pH 5.5): 3471.61
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 620.27
ACD/KOC (pH 7.4): 3471.61
Polar Surface Area: 107 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 422.8±3.0 cm3

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