ChemSpider 2D Image | (1S,5R,6R,7E,11E)-5-(2-Hydroxy-2-propanyl)-8,12-dimethyl-2-methylene-7,11-cyclotetradecadiene-1,6-diol | C20H34O3

(1S,5R,6R,7E,11E)-5-(2-Hydroxy-2-propanyl)-8,12-dimethyl-2-methylene-7,11-cyclotetradecadiene-1,6-diol

  • Molecular FormulaC20H34O3
  • Average mass322.482 Da
  • Monoisotopic mass322.250793 Da
  • ChemSpider ID35517056

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,5R,6R,7E,11E)-5-(2-Hydroxy-2-propanyl)-8,12-dimethyl-2-methylen-7,11-cyclotetradecadien-1,6-diol [German] [ACD/IUPAC Name]
(1S,5R,6R,7E,11E)-5-(2-Hydroxy-2-propanyl)-8,12-dimethyl-2-methylene-7,11-cyclotetradecadiene-1,6-diol [ACD/IUPAC Name]
(1S,5R,6R,7E,11E)-5-(2-Hydroxy-2-propanyl)-8,12-diméthyl-2-méthylène-7,11-cyclotétradécadiène-1,6-diol [French] [ACD/IUPAC Name]
7,11-Cyclotetradecadiene-1,6-diol, 5-(1-hydroxy-1-methylethyl)-8,12-dimethyl-2-methylene-, (1S,5R,6R,7E,11E)- [ACD/Index 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: 470.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.5±6.0 kJ/mol
Flash Point: 207.2±23.3 °C
Index of Refraction: 1.523
Molar Refractivity: 96.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 632.71
ACD/KOC (pH 5.5): 3521.32
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 632.71
ACD/KOC (pH 7.4): 3521.32
Polar Surface Area: 61 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 314.7±5.0 cm3

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