ChemSpider 2D Image | {[(2E,6Z)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl]sulfanyl}acetic acid | C17H28O2S

{[(2E,6Z)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl]sulfanyl}acetic acid

  • Molecular FormulaC17H28O2S
  • Average mass296.468 Da
  • Monoisotopic mass296.181000 Da
  • ChemSpider ID31044641

  • Double-bond stereo - Double-bond stereo

More details:

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

{[(2E,6Z)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl]sulfanyl}acetic acid [ACD/IUPAC Name]
{[(2E,6Z)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[(2E,6Z)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]thio]- [ACD/Index Name]
Acide {[(2E,6Z)-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]sulfanyl}acétique [French] [ACD/IUPAC Name]
135784-48-4 [RN]
Farnesylthioacetic 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: 430.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±6.0 kJ/mol
Flash Point: 214.0±28.7 °C
Index of Refraction: 1.516
Molar Refractivity: 90.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 162.38
ACD/KOC (pH 5.5): 426.93
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 3.64
ACD/KOC (pH 7.4): 9.56
Polar Surface Area: 63 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 298.0±3.0 cm3

Click to predict properties on the Chemicalize site


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