ChemSpider 2D Image | (5E,8E)-10-Hydroxy-10-{(2R,3S)-3-[(2E)-2-octen-1-yl]-2-oxiranyl}-5,8-decadienoic acid | C20H32O4

(5E,8E)-10-Hydroxy-10-{(2R,3S)-3-[(2E)-2-octen-1-yl]-2-oxiranyl}-5,8-decadienoic acid

  • Molecular FormulaC20H32O4
  • Average mass336.466 Da
  • Monoisotopic mass336.230072 Da
  • ChemSpider ID107562571

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(5E,8E)-10-Hydroxy-10-{(2R,3S)-3-[(2E)-2-octen-1-yl]-2-oxiranyl}-5,8-decadienoic acid [ACD/IUPAC Name]
(5E,8E)-10-Hydroxy-10-{(2R,3S)-3-[(2E)-2-octen-1-yl]-2-oxiranyl}-5,8-decadiensäure [German] [ACD/IUPAC Name]
5,8-Decadienoic acid, 10-hydroxy-10-[(2R,3S)-3-[(2E)-2-octen-1-yl]oxiranyl]-, (5E,8E)- [ACD/Index Name]
Acide (5E,8E)-10-hydroxy-10-{(2R,3S)-3-[(2E)-2-octén-1-yl]-2-oxiranyl}-5,8-décadiénoïque [French] [ACD/IUPAC Name]
10-Hydroxy-10-[(2R,3S)-3-oct-2-enyloxiran-2-yl]deca-5,8-dienoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 503.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.9±6.0 kJ/mol
Flash Point: 170.7±23.6 °C
Index of Refraction: 1.519
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 613.88
ACD/KOC (pH 5.5): 2013.13
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 9.79
ACD/KOC (pH 7.4): 32.11
Polar Surface Area: 70 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 321.5±3.0 cm3

Click to predict properties on the Chemicalize site


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