ChemSpider 2D Image | (2S)-3-[(1E,3E,5E,7E,9E)-1,3,5,7,9-Tetradecapentaen-1-yloxy]-1,2-propanediol | C17H26O3

(2S)-3-[(1E,3E,5E,7E,9E)-1,3,5,7,9-Tetradecapentaen-1-yloxy]-1,2-propanediol

  • Molecular FormulaC17H26O3
  • Average mass278.387 Da
  • Monoisotopic mass278.188202 Da
  • ChemSpider ID95602099
  • 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

(2S)-3-[(1E,3E,5E,7E,9E)-1,3,5,7,9-Tetradecapentaen-1-yloxy]-1,2-propandiol [German] [ACD/IUPAC Name]
(2S)-3-[(1E,3E,5E,7E,9E)-1,3,5,7,9-Tetradecapentaen-1-yloxy]-1,2-propanediol [ACD/IUPAC Name]
(2S)-3-[(1E,3E,5E,7E,9E)-1,3,5,7,9-Tétradécapentaén-1-yloxy]-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-Propanediol, 3-[(1E,3E,5E,7E,9E)-1,3,5,7,9-tetradecapentaen-1-yloxy]-, (2S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 464.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.7±6.0 kJ/mol
Flash Point: 234.9±25.9 °C
Index of Refraction: 1.528
Molar Refractivity: 85.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 181.67
ACD/KOC (pH 5.5): 1441.44
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 181.67
ACD/KOC (pH 7.4): 1441.44
Polar Surface Area: 50 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 279.0±3.0 cm3

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