ChemSpider 2D Image | Ethyl {(3S,4S,6R)-4,6-diethyl-6-[(1E)-2-ethyl-4-hydroxy-3-methoxy-1-hexen-1-yl]-1,2-dioxan-3-yl}acetate | C21H38O6

Ethyl {(3S,4S,6R)-4,6-diethyl-6-[(1E)-2-ethyl-4-hydroxy-3-methoxy-1-hexen-1-yl]-1,2-dioxan-3-yl}acetate

  • Molecular FormulaC21H38O6
  • Average mass386.523 Da
  • Monoisotopic mass386.266846 Da
  • ChemSpider ID44210769

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres

More details:

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

{(3S,4S,6R)-4,6-Diéthyl-6-[(1E)-2-éthyl-4-hydroxy-3-méthoxy-1-hexén-1-yl]-1,2-dioxan-3-yl}acétate d'éthyle [French] [ACD/IUPAC Name]
1,2-Dioxane-3-acetic acid, 4,6-diethyl-6-[(1E)-2-ethyl-4-hydroxy-3-methoxy-1-hexen-1-yl]-, ethyl ester, (3S,4S,6R)- [ACD/Index Name]
Ethyl {(3S,4S,6R)-4,6-diethyl-6-[(1E)-2-ethyl-4-hydroxy-3-methoxy-1-hexen-1-yl]-1,2-dioxan-3-yl}acetate [ACD/IUPAC Name]
Ethyl-{(3S,4S,6R)-4,6-diethyl-6-[(1E)-2-ethyl-4-hydroxy-3-methoxy-1-hexen-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: 452.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.1±6.0 kJ/mol
Flash Point: 142.0±22.2 °C
Index of Refraction: 1.483
Molar Refractivity: 107.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1932.64
ACD/KOC (pH 5.5): 7831.13
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1932.64
ACD/KOC (pH 7.4): 7831.13
Polar Surface Area: 74 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 375.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement