Found 209 results

Search term: MF = 'C_{61}H_{114}O_{6}'
ChemSpider 2D Image | 1,3-Bis[(9Z)-9-octadecenoyloxy]-2-propanyl docosanoate | C61H114O6

1,3-Bis[(9Z)-9-octadecenoyloxy]-2-propanyl docosanoate

  • Molecular FormulaC61H114O6
  • Average mass943.554 Da
  • Monoisotopic mass942.861511 Da
  • ChemSpider ID30777934

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Bis[(9Z)-9-octadecenoyloxy]-2-propanyl docosanoate [ACD/IUPAC Name]
1,3-Bis[(9Z)-9-octadecenoyloxy]-2-propanyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 1,3-bis[(9Z)-9-octadecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
Docosanoic acid, 2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
1-(9Z-Octadecenoyl)-2-docosanoyl-3-(9Z-octadecenoyl)-glycerol
1,3-bis[(9Z)-octadec-9-enoyloxy]propan-2-yl docosanoate
1-Oleoyl-2-behenoyl-3-oleoyl-glycerol
TAG(18:1/22:0/18:1)
TAG(58:2)
TG(18:1(9Z)/22:0/18:1(9Z))
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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: 853.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.0±3.0 kJ/mol
Flash Point: 310.5±28.8 °C
Index of Refraction: 1.473
Molar Refractivity: 290.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 58
#Rule of 5 Violations: 2
ACD/LogP: 26.36
ACD/LogD (pH 5.5): 24.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 24.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 115.0±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 1033.5±3.0 cm3

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