ChemSpider 2D Image | 9(S)-HOTrE | C18H30O3

9(S)-HOTrE

  • Molecular FormulaC18H30O3
  • Average mass294.429 Da
  • Monoisotopic mass294.219482 Da
  • ChemSpider ID21467281

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9S,10Z,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic acid [ACD/IUPAC Name]
(9S,10Z,12Z,15Z)-9-Hydroxy-10,12,15-octadecatriensäure [German] [ACD/IUPAC Name]
10,12,15-Octadecatrienoic acid, 9-hydroxy-, (9S,10Z,12Z,15Z)- [ACD/Index Name]
89886-42-0 [RN]
9(S)-HOTrE
Acide (9S,10Z,12Z,15Z)-9-hydroxy-10,12,15-octadécatriénoïque [French] [ACD/IUPAC Name]
10,12,15-Octadecatrienoic acid, 9-hydroxy-, (9S,10E,12Z,15Z)- [ACD/Index Name]
9S-hydroxy-10E,12Z,15Z-octadecatrienoic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 428.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±6.0 kJ/mol
Flash Point: 227.3±25.2 °C
Index of Refraction: 1.505
Molar Refractivity: 88.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 331.70
ACD/KOC (pH 5.5): 1315.22
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 5.32
ACD/KOC (pH 7.4): 21.09
Polar Surface Area: 58 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 299.0±3.0 cm3

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