ChemSpider 2D Image | Methyl {[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]sulfanyl}acetate | C23H38O2S

Methyl {[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]sulfanyl}acetate

  • Molecular FormulaC23H38O2S
  • Average mass378.612 Da
  • Monoisotopic mass378.259247 Da
  • ChemSpider ID29322773

  • Double-bond stereo - Double-bond stereo

More details:

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

{[(2E,6E,10E)-3,7,11,15-Tétraméthyl-2,6,10,14-hexadécatétraén-1-yl]sulfanyl}acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]thio]-, methyl ester [ACD/Index Name]
Methyl {[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]sulfanyl}acetate [ACD/IUPAC Name]
Methyl-{[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]sulfanyl}acetat [German] [ACD/IUPAC Name]
methyl 2-(((2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)thio)acetate

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

Density: 0.9±0.1 g/cm3
Boiling Point: 469.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 210.6±16.7 °C
Index of Refraction: 1.503
Molar Refractivity: 118.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 8.91
ACD/LogD (pH 5.5): 7.81
ACD/BCF (pH 5.5): 510297.31
ACD/KOC (pH 5.5): 423868.94
ACD/LogD (pH 7.4): 7.81
ACD/BCF (pH 7.4): 510297.31
ACD/KOC (pH 7.4): 423868.94
Polar Surface Area: 52 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 32.9±3.0 dyne/cm
Molar Volume: 399.3±3.0 cm3

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