ChemSpider 2D Image | Methyl (2E,6E)-7-(3,4-dimethoxyphenyl)-4-[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]-5-oxo-2,6-heptadienoate | C27H28O8

Methyl (2E,6E)-7-(3,4-dimethoxyphenyl)-4-[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]-5-oxo-2,6-heptadienoate

  • Molecular FormulaC27H28O8
  • Average mass480.506 Da
  • Monoisotopic mass480.178406 Da
  • ChemSpider ID24700898

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,6E)-7-(3,4-Diméthoxyphényl)-4-[(2E)-3-(3,4-diméthoxyphényl)-2-propenoyl]-5-oxo-2,6-heptadiénoate de méthyle [French] [ACD/IUPAC Name]
2,6-Heptadienoic acid, 7-(3,4-dimethoxyphenyl)-4-[(2E)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-5-oxo-, methyl ester, (2E,6E)- [ACD/Index Name]
Methyl (2E,6E)-7-(3,4-dimethoxyphenyl)-4-[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]-5-oxo-2,6-heptadienoate [ACD/IUPAC Name]
Methyl-(2E,6E)-7-(3,4-dimethoxyphenyl)-4-[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]-5-oxo-2,6-heptadienoat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL481778/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 646.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 274.4±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 134.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 633.64
ACD/KOC (pH 5.5): 3516.97
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 389.82
ACD/KOC (pH 7.4): 2163.70
Polar Surface Area: 97 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 402.5±3.0 cm3

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