ChemSpider 2D Image | (1R,4S,6S,9R,10E,13S,14R)-9-Hydroperoxy-13-hydroxy-4,9,13-trimethyl-17-methylene-5,15-dioxatricyclo[12.3.1.0~4,6~]octadec-10-en-16-one | C20H30O6

(1R,4S,6S,9R,10E,13S,14R)-9-Hydroperoxy-13-hydroxy-4,9,13-trimethyl-17-methylene-5,15-dioxatricyclo[12.3.1.04,6]octadec-10-en-16-one

  • Molecular FormulaC20H30O6
  • Average mass366.449 Da
  • Monoisotopic mass366.204254 Da
  • ChemSpider ID40256718

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,4S,6S,9R,10E,13S,14R)-9-Hydroperoxy-13-hydroxy-4,9,13-trimethyl-17-methylen-5,15-dioxatricyclo[12.3.1.04,6]octadec-10-en-16-on [German] [ACD/IUPAC Name]
(1R,4S,6S,9R,10E,13S,14R)-9-Hydroperoxy-13-hydroxy-4,9,13-trimethyl-17-methylene-5,15-dioxatricyclo[12.3.1.04,6]octadec-10-en-16-one [ACD/IUPAC Name]
(1R,4S,6S,9R,10E,13S,14R)-9-Hydroperoxy-13-hydroxy-4,9,13-triméthyl-17-méthylène-5,15-dioxatricyclo[12.3.1.04,6]octadéc-10-én-16-one [French] [ACD/IUPAC Name]
5,15-Dioxatricyclo[12.3.1.04,6]octadec-10-en-16-one, 9-hydroperoxy-13-hydroxy-4,9,13-trimethyl-17-methylene-, (1R,4S,6S,9R,10E,13S,14R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 552.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.8±6.0 kJ/mol
Flash Point: 192.4±23.6 °C
Index of Refraction: 1.550
Molar Refractivity: 96.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.75
ACD/KOC (pH 5.5): 658.07
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.75
ACD/KOC (pH 7.4): 658.06
Polar Surface Area: 89 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 302.6±5.0 cm3

Click to predict properties on the Chemicalize site


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