ChemSpider 2D Image | Dimethyl (2E)-3-methoxy-4-oxo-5-[(8E,11E)-8,11,14-pentadecatrien-1-yl]-2-hexenedioate | C24H36O6

Dimethyl (2E)-3-methoxy-4-oxo-5-[(8E,11E)-8,11,14-pentadecatrien-1-yl]-2-hexenedioate

  • Molecular FormulaC24H36O6
  • Average mass420.539 Da
  • Monoisotopic mass420.251190 Da
  • ChemSpider ID35013443

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-Méthoxy-4-oxo-5-[(8E,11E)-8,11,14-pentadécatrién-1-yl]-2-hexènedioate de diméthyle [French] [ACD/IUPAC Name]
2-Hexenedioic acid, 3-methoxy-4-oxo-5-[(8E,11E)-8,11,14-pentadecatrien-1-yl]-, dimethyl ester, (2E)- [ACD/Index Name]
Dimethyl (2E)-3-methoxy-4-oxo-5-[(8E,11E)-8,11,14-pentadecatrien-1-yl]-2-hexenedioate [ACD/IUPAC Name]
Dimethyl-(2E)-3-methoxy-4-oxo-5-[(8E,11E)-8,11,14-pentadecatrien-1-yl]-2-hexendioat [German] [ACD/IUPAC Name]
1,6-dimethyl (2E)-3-methoxy-4-oxo-5-[(8E,11E)-pentadeca-8,11,14-trien-1-yl]hex-2-enedioate
Dimethyl 3-methoxy-4-oxo-5-(8,11,14-pentadecatrienyl)-2-hexenedioate

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 525.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 222.6±30.2 °C
Index of Refraction: 1.487
Molar Refractivity: 118.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18885.43
ACD/KOC (pH 5.5): 40034.83
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 18884.33
ACD/KOC (pH 7.4): 40032.50
Polar Surface Area: 79 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 411.3±3.0 cm3

Click to predict properties on the Chemicalize site


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