ChemSpider 2D Image | Ethyl (2E,6E,10E)-7,11,15-trimethyl-3-(~2~H_3_)methyl(2,4,4-~2~H_3_)-2,6,10,14-hexadecatetraenoate | C22H30D6O2

Ethyl (2E,6E,10E)-7,11,15-trimethyl-3-(2H3)methyl(2,4,4-2H3)-2,6,10,14-hexadecatetraenoate

  • Molecular FormulaC22H30D6O2
  • Average mass338.557 Da
  • Monoisotopic mass338.309204 Da
  • ChemSpider ID107434295

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E,6E,10E)-7,11,15-Triméthyl-3-(2H3)méthyl(2,4,4-2H3)-2,6,10,14-hexadécatétraénoate d'éthyle [French] [ACD/IUPAC Name]
2,6,10,14-Hexadecatetraenoic-2,4,4-d3 acid, 7,11,15-trimethyl-3-(methyl-d3)-, ethyl ester, (2E,6E,10E)- [ACD/Index Name]
Ethyl (2E,6E,10E)-7,11,15-trimethyl-3-(2H3)methyl(2,4,4-2H3)-2,6,10,14-hexadecatetraenoate [ACD/IUPAC Name]
Ethyl-(2E,6E,10E)-7,11,15-trimethyl-3-(2H3)methyl(2,4,4-2H3)-2,6,10,14-hexadecatetraenoat [German] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 423.7±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 211.1±16.8 °C
Index of Refraction: 1.483
Molar Refractivity: 105.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 8.57
ACD/LogD (pH 5.5): 7.34
ACD/BCF (pH 5.5): 221276.56
ACD/KOC (pH 5.5): 233066.47
ACD/LogD (pH 7.4): 7.34
ACD/BCF (pH 7.4): 221276.56
ACD/KOC (pH 7.4): 233066.47
Polar Surface Area: 26 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 30.4±3.0 dyne/cm
Molar Volume: 368.8±3.0 cm3

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