ChemSpider 2D Image | [(4Z)-2-(Hydroxymethyl)-4-(3-methylbutylidene)-5-oxotetrahydro-2-furanyl]methyl (9E,12E)-9,12-octadecadienoate | C29H48O5

[(4Z)-2-(Hydroxymethyl)-4-(3-methylbutylidene)-5-oxotetrahydro-2-furanyl]methyl (9E,12E)-9,12-octadecadienoate

  • Molecular FormulaC29H48O5
  • Average mass476.688 Da
  • Monoisotopic mass476.350189 Da
  • ChemSpider ID58988085

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E,12E)-9,12-Octadécadiénoate de [(4Z)-2-(hydroxyméthyl)-4-(3-méthylbutylidène)-5-oxotétrahydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
[(4Z)-2-(Hydroxymethyl)-4-(3-methylbutyliden)-5-oxotetrahydro-2-furanyl]methyl-(9E,12E)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
[(4Z)-2-(Hydroxymethyl)-4-(3-methylbutylidene)-5-oxotetrahydro-2-furanyl]methyl (9E,12E)-9,12-octadecadienoate [ACD/IUPAC Name]
9,12-Octadecadienoic acid, [(4Z)-tetrahydro-2-(hydroxymethyl)-4-(3-methylbutylidene)-5-oxo-2-furanyl]methyl ester, (9E,12E)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 562.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.1±6.0 kJ/mol
Flash Point: 169.8±20.8 °C
Index of Refraction: 1.513
Molar Refractivity: 141.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 8.70
ACD/LogD (pH 5.5): 8.02
ACD/BCF (pH 5.5): 733870.06
ACD/KOC (pH 5.5): 549768.69
ACD/LogD (pH 7.4): 8.02
ACD/BCF (pH 7.4): 733870.06
ACD/KOC (pH 7.4): 549768.69
Polar Surface Area: 73 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 469.3±3.0 cm3

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