ChemSpider 2D Image | (2E,6S,7S,10E)-2,10,12-Tridecatriene-1,6,7-triol | C13H22O3

(2E,6S,7S,10E)-2,10,12-Tridecatriene-1,6,7-triol

  • Molecular FormulaC13H22O3
  • Average mass226.312 Da
  • Monoisotopic mass226.156891 Da
  • ChemSpider ID44210779

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E,6S,7S,10E)-2,10,12-Tridecatrien-1,6,7-triol [German] [ACD/IUPAC Name]
(2E,6S,7S,10E)-2,10,12-Tridecatriene-1,6,7-triol [ACD/IUPAC Name]
(2E,6S,7S,10E)-2,10,12-Tridécatriène-1,6,7-triol [French] [ACD/IUPAC Name]
2,10,12-Tridecatriene-1,6,7-triol, (2E,6S,7S,10E)- [ACD/Index Name]
Harzianumol H

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

Density: 1.0±0.1 g/cm3
Boiling Point: 404.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.9±6.0 kJ/mol
Flash Point: 191.8±23.3 °C
Index of Refraction: 1.521
Molar Refractivity: 66.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.95
ACD/KOC (pH 5.5): 93.01
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 3.95
ACD/KOC (pH 7.4): 93.01
Polar Surface Area: 61 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 218.7±3.0 cm3

Click to predict properties on the Chemicalize site


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