ChemSpider 2D Image | 2-(Pentadecanoyloxy)-1,3-propanediyl (9Z,9'Z)bis(-9-octadecenoate) | C54H100O6

2-(Pentadecanoyloxy)-1,3-propanediyl (9Z,9'Z)bis(-9-octadecenoate)

  • Molecular FormulaC54H100O6
  • Average mass845.368 Da
  • Monoisotopic mass844.752014 Da
  • ChemSpider ID30777930

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z,9'Z)Bis(-9-octadécénoate) de 2-(pentadecanoyloxy)-1,3-propanediyle [French] [ACD/IUPAC Name]
2-(Pentadecanoyloxy)-1,3-propandiyl-(9Z,9'Z)bis(-9-octadecenoat) [German] [ACD/IUPAC Name]
2-(Pentadecanoyloxy)-1,3-propanediyl (9Z,9'Z)bis(-9-octadecenoate) [ACD/IUPAC Name]
9-Octadecenoic acid, 2-[(1-oxopentadecyl)oxy]-1,3-propanediyl ester, (9Z,9'Z)- [ACD/Index Name]
1-(9Z-Octadecenoyl)-2-pentadecanoyl-3-(9Z-octadecenoyl)-glycerol
1-Oleoyl-2-pentadecanoyl-3-oleoyl-glycerol
3-[(9Z)-octadec-9-enoyloxy]-2-(pentadecanoyloxy)propyl (9Z)-octadec-9-enoate
TAG(18:1/15:0/18:1)
TAG(51:2)
TG(18:1(9Z)/15:0/18:1(9Z))
More...

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: 0.9±0.1 g/cm3
Boiling Point: 793.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 296.3±27.4 °C
Index of Refraction: 1.473
Molar Refractivity: 257.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.64
ACD/LogD (pH 5.5): 21.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 102.1±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 918.0±3.0 cm3

Click to predict properties on the Chemicalize site


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