ChemSpider 2D Image | (2E,7R,8R,11E)-7,8-Dihydroxy-2,11-tridecadien-6-one | C13H22O3

(2E,7R,8R,11E)-7,8-Dihydroxy-2,11-tridecadien-6-one

  • Molecular FormulaC13H22O3
  • Average mass226.312 Da
  • Monoisotopic mass226.156891 Da
  • ChemSpider ID44210774

  • 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,7R,8R,11E)-7,8-Dihydroxy-2,11-tridecadien-6-on [German] [ACD/IUPAC Name]
(2E,7R,8R,11E)-7,8-Dihydroxy-2,11-tridecadien-6-one [ACD/IUPAC Name]
(2E,7R,8R,11E)-7,8-Dihydroxy-2,11-tridécadién-6-one [French] [ACD/IUPAC Name]
2,11-Tridecadien-6-one, 7,8-dihydroxy-, (2E,7R,8R,11E)- [ACD/Index Name]
Harzianumol C

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

Density: 1.0±0.1 g/cm3
Boiling Point: 389.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.9±6.0 kJ/mol
Flash Point: 203.7±24.4 °C
Index of Refraction: 1.498
Molar Refractivity: 65.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.09
ACD/KOC (pH 5.5): 397.95
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.08
ACD/KOC (pH 7.4): 397.94
Polar Surface Area: 58 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 223.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement