ChemSpider 2D Image | (5R)-4-(Allyloxy)-3,5-dimethyl-5-octyl-2(5H)-thiophenone | C17H28O2S

(5R)-4-(Allyloxy)-3,5-dimethyl-5-octyl-2(5H)-thiophenone

  • Molecular FormulaC17H28O2S
  • Average mass296.468 Da
  • Monoisotopic mass296.181000 Da
  • ChemSpider ID23244292

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-3,5-dimethyl-5-octyl-4-(prop-2-en-1-yloxy)thiophen-2(5H)-one
(5R)-4-(Allyloxy)-3,5-dimethyl-5-octyl-2(5H)-thiophenon [German] [ACD/IUPAC Name]
(5R)-4-(Allyloxy)-3,5-dimethyl-5-octyl-2(5H)-thiophenone [ACD/IUPAC Name]
(5R)-4-(Allyloxy)-3,5-diméthyl-5-octyl-2(5H)-thiophénone [French] [ACD/IUPAC Name]
2(5H)-Thiophenone, 3,5-dimethyl-5-octyl-4-(2-propen-1-yloxy)-, (5R)- [ACD/Index Name]
(R)-4-Allyloxy-3,5-dimethyl-5-octyl-5H-thiophen-2-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 410.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 188.4±16.7 °C
Index of Refraction: 1.506
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 37760.92
ACD/KOC (pH 5.5): 65740.13
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 37760.92
ACD/KOC (pH 7.4): 65740.13
Polar Surface Area: 52 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 36.1±5.0 dyne/cm
Molar Volume: 295.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement