ChemSpider 2D Image | (2E,4S,11R)-4,11-Dihydroxy-2-dodecenoic acid | C12H22O4

(2E,4S,11R)-4,11-Dihydroxy-2-dodecenoic acid

  • Molecular FormulaC12H22O4
  • Average mass230.301 Da
  • Monoisotopic mass230.151810 Da
  • ChemSpider ID59000900

  • 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,4S,11R)-4,11-Dihydroxy-2-dodecenoic acid [ACD/IUPAC Name]
(2E,4S,11R)-4,11-Dihydroxy-2-dodecensäure [German] [ACD/IUPAC Name]
2-Dodecenoic acid, 4,11-dihydroxy-, (2E,4S,11R)- [ACD/Index Name]
Acide (2E,4S,11R)-4,11-dihydroxy-2-dodécénoïque [French] [ACD/IUPAC Name]
seco-patulolide C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 432.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±6.0 kJ/mol
Flash Point: 229.4±23.8 °C
Index of Refraction: 1.503
Molar Refractivity: 62.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.92
ACD/LogD (pH 7.4): -2.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 210.6±3.0 cm3

Click to predict properties on the Chemicalize site


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