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ChemSpider 2D Image | DG(14:1(9Z)/18:1(11Z)/0:0) | C35H64O5


  • Molecular FormulaC35H64O5
  • Average mass564.880 Da
  • Monoisotopic mass564.475403 Da
  • ChemSpider ID24765877
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(11Z)-11-Octadécénoate de (2S)-1-hydroxy-3-[(9Z)-9-tetradecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl (11Z)-11-octadecenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl-(11Z)-11-octadecenoat [German] [ACD/IUPAC Name]
11-Octadecenoic acid, (1S)-2-hydroxy-1-[[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]methyl]ethyl ester, (11Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-[(9Z)-tetradec-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

Density: 0.9±0.1 g/cm3
Boiling Point: 626.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.3±6.0 kJ/mol
Flash Point: 178.2±16.7 °C
Index of Refraction: 1.478
Molar Refractivity: 169.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 13.31
ACD/LogD (pH 5.5): 11.03
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.03
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 598.3±3.0 cm3

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