ChemSpider 2D Image | Dimethyl (3E)-2-{(E)-[3,4-bis(methoxymethoxy)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl}-3-[2-hydroxy-4,5-bis(methoxymethoxy)benzylidene]succinate | C28H34O14

Dimethyl (3E)-2-{(E)-[3,4-bis(methoxymethoxy)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl}-3-[2-hydroxy-4,5-bis(methoxymethoxy)benzylidene]succinate

  • Molecular FormulaC28H34O14
  • Average mass594.561 Da
  • Monoisotopic mass594.194885 Da
  • ChemSpider ID8206967

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-2-{(E)-[3,4-Bis(méthoxyméthoxy)-6-oxo-2,4-cyclohexadién-1-ylidène]méthyl}-3-[2-hydroxy-4,5-bis(méthoxyméthoxy)benzylidène]succinate de diméthyle [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[(E)-[3,4-bis(methoxymethoxy)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl]-3-[[2-hydroxy-4,5-bis(methoxymethoxy)phenyl]methylene]-, dimethyl ester, (3E)- [ACD/Index Name]
Dimethyl (3E)-2-{(E)-[3,4-bis(methoxymethoxy)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl}-3-[2-hydroxy-4,5-bis(methoxymethoxy)benzylidene]succinate [ACD/IUPAC Name]
Dimethyl-(3E)-2-{(E)-[3,4-bis(methoxymethoxy)-6-oxo-2,4-cyclohexadien-1-yliden]methyl}-3-[2-hydroxy-4,5-bis(methoxymethoxy)benzyliden]succinat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 761.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 244.6±26.4 °C
Index of Refraction: 1.557
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.42
ACD/KOC (pH 5.5): 186.20
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.32
ACD/KOC (pH 7.4): 166.58
Polar Surface Area: 164 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 449.4±5.0 cm3

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