ChemSpider 2D Image | Methyl {(3S,4S,6R)-4,6-diethyl-6-[(1E,3E)-2-ethyl-5-oxo-1,3-hexadien-1-yl]-1,2-dioxan-3-yl}acetate | C19H30O5

Methyl {(3S,4S,6R)-4,6-diethyl-6-[(1E,3E)-2-ethyl-5-oxo-1,3-hexadien-1-yl]-1,2-dioxan-3-yl}acetate

  • Molecular FormulaC19H30O5
  • Average mass338.439 Da
  • Monoisotopic mass338.209320 Da
  • ChemSpider ID44210767

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{(3S,4S,6R)-4,6-Diéthyl-6-[(1E,3E)-2-éthyl-5-oxo-1,3-hexadién-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,3E)-2-ethyl-5-oxo-1,3-hexadien-1-yl]-, methyl ester, (3S,4S,6R)- [ACD/Index Name]
Methyl {(3S,4S,6R)-4,6-diethyl-6-[(1E,3E)-2-ethyl-5-oxo-1,3-hexadien-1-yl]-1,2-dioxan-3-yl}acetate [ACD/IUPAC Name]
Methyl-{(3S,4S,6R)-4,6-diethyl-6-[(1E,3E)-2-ethyl-5-oxo-1,3-hexadien-1-yl]-1,2-dioxan-3-yl}acetat [German] [ACD/IUPAC 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: 416.6±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 178.2±26.8 °C
Index of Refraction: 1.489
Molar Refractivity: 94.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 373.52
ACD/KOC (pH 5.5): 2414.71
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 373.52
ACD/KOC (pH 7.4): 2414.71
Polar Surface Area: 62 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 328.6±3.0 cm3

Click to predict properties on the Chemicalize site


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