ChemSpider 2D Image | 1,3-Bis(octanoyloxy)-2-propanyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate | C37H64O6

1,3-Bis(octanoyloxy)-2-propanyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate

  • Molecular FormulaC37H64O6
  • Average mass604.901 Da
  • Monoisotopic mass604.470276 Da
  • ChemSpider ID57492466

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z,9Z,12Z)-6,9,12-Octadécatriénoate de 1,3-bis(octanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1,3-Bis(octanoyloxy)-2-propanyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate [ACD/IUPAC Name]
1,3-Bis(octanoyloxy)-2-propanyl-(6Z,9Z,12Z)-6,9,12-octadecatrienoat [German] [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, 2-[(1-oxooctyl)oxy]-1-[[(1-oxooctyl)oxy]methyl]ethyl ester, (6Z,9Z,12Z)- [ACD/Index Name]
1,3-BIS(OCTANOYLOXY)PROPAN-2-YL (6Z,9Z,12Z)-OCTADECA-6,9,12-TRIENOATE
1,3-dicapryloyl-2-??-linolenoyl glycerol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 629.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 251.4±31.5 °C
Index of Refraction: 1.479
Molar Refractivity: 178.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 12.99
ACD/LogD (pH 5.5): 12.08
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.08
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 631.0±3.0 cm3

Click to predict properties on the Chemicalize site


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