ChemSpider 2D Image | diacarperoxide I | C20H34O5

diacarperoxide I

  • Molecular FormulaC20H34O5
  • Average mass354.481 Da
  • Monoisotopic mass354.240631 Da
  • ChemSpider ID34982080

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-2-[(3R,6S)-6-{2-[(1S)-1-Hydroxy-2,2-diméthyl-6-méthylènecyclohexyl]éthyl}-6-méthyl-1,2-dioxan-3-yl]propanoate de méthyle [French] [ACD/IUPAC Name]
1,2-Dioxane-3-acetic acid, 6-[2-[(1S)-1-hydroxy-2,2-dimethyl-6-methylenecyclohexyl]ethyl]-α,6-dimethyl-, methyl ester, (αR,3R,6S)- [ACD/Index Name]
diacarperoxide I
Methyl (2R)-2-[(3R,6S)-6-{2-[(1S)-1-hydroxy-2,2-dimethyl-6-methylenecyclohexyl]ethyl}-6-methyl-1,2-dioxan-3-yl]propanoate [ACD/IUPAC Name]
Methyl-(2R)-2-[(3R,6S)-6-{2-[(1S)-1-hydroxy-2,2-dimethyl-6-methylencyclohexyl]ethyl}-6-methyl-1,2-dioxan-3-yl]propanoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 411.7±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.7±6.0 kJ/mol
Flash Point: 130.7±17.5 °C
Index of Refraction: 1.499
Molar Refractivity: 97.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1137.27
ACD/KOC (pH 5.5): 5357.78
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1137.27
ACD/KOC (pH 7.4): 5357.78
Polar Surface Area: 65 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 39.1±5.0 dyne/cm
Molar Volume: 330.2±5.0 cm3

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