Found 1 result

Search term: VCOQISMTLHMNRY-HGKIKGFLSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | TG(18:1(9Z)/18:1(11Z)/18:1(9Z))[iso3] | C57H104O6


  • Molecular FormulaC57H104O6
  • Average mass885.432 Da
  • Monoisotopic mass884.783264 Da
  • ChemSpider ID24768231
  • 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-[(11Z)-11-octadecenoyloxy]-1,3-propanediyle [French] [ACD/IUPAC Name]
2-[(11Z)-11-Octadecenoyloxy]-1,3-propandiyl-(9Z,9'Z)bis(-9-octadecenoat) [German] [ACD/IUPAC Name]
2-[(11Z)-11-Octadecenoyloxy]-1,3-propanediyl (9Z,9'Z)bis(-9-octadecenoate) [ACD/IUPAC Name]
9-Octadecenoic acid, 2-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]-1,3-propanediyl ester, (9Z,9'Z)- [ACD/Index Name]
1,3-bis[(9Z)-octadec-9-enoyloxy]propan-2-yl (11Z)-octadec-11-enoate

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: 818.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 302.7±28.8 °C
Index of Refraction: 1.477
Molar Refractivity: 271.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.71
ACD/LogD (pH 5.5): 21.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.68
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.7±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 961.1±3.0 cm3

Click to predict properties on the Chemicalize site