ChemSpider 2D Image | 16-Methylheptadecyl (3E)-2,4-dihydroxy-2-{(E)-2-hydroxy-2-[(16-methylheptadecyl)oxy]vinyl}-4-[(16-methylheptadecyl)oxy]-3-butenoate | C60H116O7

16-Methylheptadecyl (3E)-2,4-dihydroxy-2-{(E)-2-hydroxy-2-[(16-methylheptadecyl)oxy]vinyl}-4-[(16-methylheptadecyl)oxy]-3-butenoate

  • Molecular FormulaC60H116O7
  • Average mass949.559 Da
  • Monoisotopic mass948.872131 Da
  • ChemSpider ID95618118

More details:

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

(3E)-2,4-Dihydroxy-2-{(E)-2-hydroxy-2-[(16-méthylheptadécyl)oxy]vinyl}-4-[(16-méthylheptadécyl)oxy]-3-buténoate de 16-méthylheptadécyle [French] [ACD/IUPAC Name]
16-Methylheptadecyl (3E)-2,4-dihydroxy-2-{(E)-2-hydroxy-2-[(16-methylheptadecyl)oxy]vinyl}-4-[(16-methylheptadecyl)oxy]-3-butenoate [ACD/IUPAC Name]
16-Methylheptadecyl-(3E)-2,4-dihydroxy-2-{(E)-2-hydroxy-2-[(16-methylheptadecyl)oxy]vinyl}-4-[(16-methylheptadecyl)oxy]-3-butenoat [German] [ACD/IUPAC Name]
3-Butenoic acid, 2,4-dihydroxy-2-[(E)-2-hydroxy-2-[(16-methylheptadecyl)oxy]ethenyl]-4-[(16-methylheptadecyl)oxy]-, 16-methylheptadecyl ester, (3E)- [ACD/Index 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: 905.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.5±6.0 kJ/mol
Flash Point: 227.7±27.8 °C
Index of Refraction: 1.482
Molar Refractivity: 289.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 54
#Rule of 5 Violations: 2
ACD/LogP: 29.59
ACD/LogD (pH 5.5): 24.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 24.23
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 105 Å2
Polarizability: 114.8±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 1015.7±3.0 cm3

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