ChemSpider 2D Image | (3R,4S)-3-Hydroxy-3,7-dimethyl-1,6-octadien-4-yl (9Z,12Z)-9,12-octadecadienoate | C28H48O3

(3R,4S)-3-Hydroxy-3,7-dimethyl-1,6-octadien-4-yl (9Z,12Z)-9,12-octadecadienoate

  • Molecular FormulaC28H48O3
  • Average mass432.679 Da
  • Monoisotopic mass432.360352 Da
  • ChemSpider ID78437346

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-3-Hydroxy-3,7-dimethyl-1,6-octadien-4-yl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
(3R,4S)-3-Hydroxy-3,7-dimethyl-1,6-octadien-4-yl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Octadécadiénoate de (3R,4S)-3-hydroxy-3,7-diméthyl-1,6-octadién-4-yle [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, (1S)-1-[(1R)-1-hydroxy-1-methyl-2-propen-1-yl]-4-methyl-3-penten-1-yl ester, (9Z,12Z)- [ACD/Index Name]
4-[(3R,4S)-3-hydroxy-3,7-dimethylocta- 1,6-dienyl(9Z, 12Z)- 9,12-octadecadienoate

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

Density: 0.9±0.1 g/cm3
Boiling Point: 522.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.6±6.0 kJ/mol
Flash Point: 189.3±22.9 °C
Index of Refraction: 1.488
Molar Refractivity: 134.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 10.30
ACD/LogD (pH 5.5): 9.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2209299.00
ACD/LogD (pH 7.4): 9.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2209296.50
Polar Surface Area: 47 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 467.9±3.0 cm3

Click to predict properties on the Chemicalize site


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