ChemSpider 2D Image | 7-oxabicyclo[2.2.1]heptane-2-propanol, alpha-ethenyl-3-[(2E)-4-hydroperoxy-4-methyl-2-penten-1-yl]-alpha,1,3-trimethyl-, (alphaS,2S,3S)- | C20H34O4

7-oxabicyclo[2.2.1]heptane-2-propanol, α-ethenyl-3-[(2E)-4-hydroperoxy-4-methyl-2-penten-1-yl]-α,1,3-trimethyl-, (αS,2S,3S)-

  • Molecular FormulaC20H34O4
  • Average mass338.482 Da
  • Monoisotopic mass338.245697 Da
  • ChemSpider ID21431280

  • 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

7-oxabicyclo[2.2.1]heptane-2-propanol, α-ethenyl-3-[(2E)-4-hydroperoxy-4-methyl-2-penten-1-yl]-α,1,3-trimethyl-, (αS,2S,3S)-

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

Density: 1.0±0.1 g/cm3
Boiling Point: 449.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.7±6.0 kJ/mol
Flash Point: 225.6±23.2 °C
Index of Refraction: 1.504
Molar Refractivity: 96.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 476.87
ACD/KOC (pH 5.5): 2876.09
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 476.86
ACD/KOC (pH 7.4): 2876.04
Polar Surface Area: 59 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 326.8±3.0 cm3

Click to predict properties on the Chemicalize site


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