ChemSpider 2D Image | {(3S,4S,6R)-4,6-Diethyl-6-[(5E)-4-ethyl-7-oxo-5-octen-1-yl]-1,2-dioxan-3-yl}acetic acid | C20H34O5

{(3S,4S,6R)-4,6-Diethyl-6-[(5E)-4-ethyl-7-oxo-5-octen-1-yl]-1,2-dioxan-3-yl}acetic acid

  • Molecular FormulaC20H34O5
  • Average mass354.481 Da
  • Monoisotopic mass354.240631 Da
  • ChemSpider ID44210770

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

{(3S,4S,6R)-4,6-Diethyl-6-[(5E)-4-ethyl-7-oxo-5-octen-1-yl]-1,2-dioxan-3-yl}acetic acid [ACD/IUPAC Name]
{(3S,4S,6R)-4,6-Diethyl-6-[(5E)-4-ethyl-7-oxo-5-octen-1-yl]-1,2-dioxan-3-yl}essigsäure [German] [ACD/IUPAC Name]
1,2-Dioxane-3-acetic acid, 4,6-diethyl-6-[(5E)-4-ethyl-7-oxo-5-octen-1-yl]-, (3S,4S,6R)- [ACD/Index Name]
Acide {(3S,4S,6R)-4,6-diéthyl-6-[(5E)-4-éthyl-7-oxo-5-octén-1-yl]-1,2-dioxan-3-yl}acétique [French] [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: 469.9±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.2±6.0 kJ/mol
Flash Point: 154.6±14.7 °C
Index of Refraction: 1.462
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 65.12
ACD/KOC (pH 5.5): 324.70
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 5.20
Polar Surface Area: 73 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 355.0±3.0 cm3

Click to predict properties on the Chemicalize site


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