ChemSpider 2D Image | Methyl (2E)-3-{(2S,4Z)-2-(hydroxymethyl)-4-[(10Z)-10-nonadecen-1-ylidene]-5-oxotetrahydro-2-furanyl}acrylate | C28H46O5

Methyl (2E)-3-{(2S,4Z)-2-(hydroxymethyl)-4-[(10Z)-10-nonadecen-1-ylidene]-5-oxotetrahydro-2-furanyl}acrylate

  • Molecular FormulaC28H46O5
  • Average mass462.662 Da
  • Monoisotopic mass462.334534 Da
  • ChemSpider ID23215288

  • 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

(2E)-3-{(2S,4Z)-2-(Hydroxyméthyl)-4-[(10Z)-10-nonadécén-1-ylidène]-5-oxotétrahydro-2-furanyl}acrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[(2S,4Z)-tetrahydro-2-(hydroxymethyl)-4-[(10Z)-10-nonadecen-1-ylidene]-5-oxo-2-furanyl]-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-3-{(2S,4Z)-2-(hydroxymethyl)-4-[(10Z)-10-nonadecen-1-ylidene]-5-oxotetrahydro-2-furanyl}acrylate [ACD/IUPAC Name]
methyl (2E)-3-{(2S,4Z)-2-(hydroxymethyl)-4-[(10Z)-nonadec-10-en-1-ylidene]-5-oxotetrahydrofuran-2-yl}prop-2-enoate
Methyl-(2E)-3-{(2S,4Z)-2-(hydroxymethyl)-4-[(10Z)-10-nonadecen-1-yliden]-5-oxotetrahydro-2-furanyl}acrylat [German] [ACD/IUPAC Name]
(E)-3-{(S)-2-Hydroxymethyl-4-[(Z)-nonadec-10-en-(Z)-ylidene]-5-oxo-tetrahydro-furan-2-yl}-acrylic acid methyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL422468/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 588.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.9±6.0 kJ/mol
Flash Point: 183.0±23.6 °C
Index of Refraction: 1.540
Molar Refractivity: 138.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 8.92
ACD/LogD (pH 5.5): 8.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 861008.75
ACD/LogD (pH 7.4): 8.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 861008.75
Polar Surface Area: 73 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 440.6±3.0 cm3

Click to predict properties on the Chemicalize site


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