ChemSpider 2D Image | diacarperoxide C | C20H34O6

diacarperoxide C

  • Molecular FormulaC20H34O6
  • Average mass370.480 Da
  • Monoisotopic mass370.235535 Da
  • ChemSpider ID24709366

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-2-[(3S,6S)-6-(4,4-Diméthyl-3,8-dioxononyl)-6-méthyl-1,2-dioxan-3-yl]propanoate de méthyle [French] [ACD/IUPAC Name]
1,2-Dioxane-3-acetic acid, 6-(4,4-dimethyl-3,8-dioxononyl)-α,6-dimethyl-, methyl ester, (αR,3S,6S)- [ACD/Index Name]
diacarperoxide C
Methyl (2R)-2-[(3S,6S)-6-(4,4-dimethyl-3,8-dioxononyl)-6-methyl-1,2-dioxan-3-yl]propanoate [ACD/IUPAC Name]
Methyl-(2R)-2-[(3S,6S)-6-(4,4-dimethyl-3,8-dioxononyl)-6-methyl-1,2-dioxan-3-yl]propanoat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL498535/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 459.0±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 196.4±21.8 °C
Index of Refraction: 1.455
Molar Refractivity: 97.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.06
ACD/KOC (pH 5.5): 736.23
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.06
ACD/KOC (pH 7.4): 736.23
Polar Surface Area: 79 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 33.8±3.0 dyne/cm
Molar Volume: 359.5±3.0 cm3

Click to predict properties on the Chemicalize site


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