ChemSpider 2D Image | (1E,3S,5Z,10S,11R)-2,6,10-Trimethyl-1-(2-methyl-1,3-thiazol-4-yl)-1,5-tridecadiene-3,11-diol | C20H33NO2S

(1E,3S,5Z,10S,11R)-2,6,10-Trimethyl-1-(2-methyl-1,3-thiazol-4-yl)-1,5-tridecadiene-3,11-diol

  • Molecular FormulaC20H33NO2S
  • Average mass351.547 Da
  • Monoisotopic mass351.223206 Da
  • ChemSpider ID78436165

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1E,3S,5Z,10S,11R)-2,6,10-Trimethyl-1-(2-methyl-1,3-thiazol-4-yl)-1,5-tridecadien-3,11-diol [German] [ACD/IUPAC Name]
(1E,3S,5Z,10S,11R)-2,6,10-Trimethyl-1-(2-methyl-1,3-thiazol-4-yl)-1,5-tridecadiene-3,11-diol [ACD/IUPAC Name]
(1E,3S,5Z,10S,11R)-2,6,10-Triméthyl-1-(2-méthyl-1,3-thiazol-4-yl)-1,5-tridécadiène-3,11-diol [French] [ACD/IUPAC Name]
1,5-Tridecadiene-3,11-diol, 2,6,10-trimethyl-1-(2-methyl-4-thiazolyl)-, (1E,3S,5Z,10S,11R)- [ACD/Index Name]
(1Z,3S,5E,10S,11R)-2,6,10-trimethyl-1-(2-methylthiazol-4-yl)trideca-1,5-diene-3,11-diol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 504.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 258.8±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1413.03
ACD/KOC (pH 5.5): 6255.60
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1415.38
ACD/KOC (pH 7.4): 6266.00
Polar Surface Area: 82 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 333.3±3.0 cm3

Click to predict properties on the Chemicalize site


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