ChemSpider 2D Image | (5R)-4-Hydroxy-5-methyl-5-[(1E)-2-methyl-1,3-butadien-1-yl]-3-propyl-2(5H)-thiophenone | C13H18O2S

(5R)-4-Hydroxy-5-methyl-5-[(1E)-2-methyl-1,3-butadien-1-yl]-3-propyl-2(5H)-thiophenone

  • Molecular FormulaC13H18O2S
  • Average mass238.346 Da
  • Monoisotopic mass238.102753 Da
  • ChemSpider ID35034425

  • 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

(5R)-4-Hydroxy-5-methyl-5-[(1E)-2-methyl-1,3-butadien-1-yl]-3-propyl-2(5H)-thiophenon [German] [ACD/IUPAC Name]
(5R)-4-Hydroxy-5-methyl-5-[(1E)-2-methyl-1,3-butadien-1-yl]-3-propyl-2(5H)-thiophenone [ACD/IUPAC Name]
(5R)-4-Hydroxy-5-méthyl-5-[(1E)-2-méthyl-1,3-butadién-1-yl]-3-propyl-2(5H)-thiophénone [French] [ACD/IUPAC Name]
(5r)-4-Hydroxy-5-Methyl-5-[(1e)-2-Methylbuta-1,3-Dien-1-Yl]-3-Propylthiophen-2(5h)-One
2(5H)-Thiophenone, 4-hydroxy-5-methyl-5-[(1E)-2-methyl-1,3-butadien-1-yl]-3-propyl-, (5R)- [ACD/Index Name]
TLJ

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

Density: 1.1±0.1 g/cm3
Boiling Point: 357.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.7±6.0 kJ/mol
Flash Point: 169.8±27.9 °C
Index of Refraction: 1.602
Molar Refractivity: 71.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 14.27
ACD/KOC (pH 5.5): 118.14
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.04
Polar Surface Area: 63 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 207.3±3.0 cm3

Click to predict properties on the Chemicalize site


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