ChemSpider 2D Image | Methyl {4,6-diethyl-6-[(1E)-2-(3-ethyl-2-oxiranyl)-1-buten-1-yl]-1,2-dioxan-3-yl}acetate | C19H32O5

Methyl {4,6-diethyl-6-[(1E)-2-(3-ethyl-2-oxiranyl)-1-buten-1-yl]-1,2-dioxan-3-yl}acetate

  • Molecular FormulaC19H32O5
  • Average mass340.454 Da
  • Monoisotopic mass340.224976 Da
  • ChemSpider ID24699906

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

{4,6-Diéthyl-6-[(1E)-2-(3-éthyl-2-oxiranyl)-1-butén-1-yl]-1,2-dioxan-3-yl}acétate de méthyle [French] [ACD/IUPAC Name]
1,2-Dioxane-3-acetic acid, 4,6-diethyl-6-[(1E)-2-(3-ethyloxiranyl)-1-buten-1-yl]-, methyl ester [ACD/Index Name]
Methyl {4,6-diethyl-6-[(1E)-2-(3-ethyl-2-oxiranyl)-1-buten-1-yl]-1,2-dioxan-3-yl}acetate [ACD/IUPAC Name]
Methyl-{4,6-diethyl-6-[(1E)-2-(3-ethyl-2-oxiranyl)-1-buten-1-yl]-1,2-dioxan-3-yl}acetat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL479179/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 394.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.4±3.0 kJ/mol
Flash Point: 167.5±26.5 °C
Index of Refraction: 1.489
Molar Refractivity: 94.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1032.86
ACD/KOC (pH 5.5): 5000.93
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1032.86
ACD/KOC (pH 7.4): 5000.93
Polar Surface Area: 57 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 326.3±3.0 cm3

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