ChemSpider 2D Image | (5R)-5-Methyl-2-(2-sulfanyl-2-propanyl)cyclohexanone | C10H18OS

(5R)-5-Methyl-2-(2-sulfanyl-2-propanyl)cyclohexanone

  • Molecular FormulaC10H18OS
  • Average mass186.314 Da
  • Monoisotopic mass186.107834 Da
  • ChemSpider ID22842266

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(5R)-5-Methyl-2-(2-sulfanyl-2-propanyl)cyclohexanon [German] [ACD/IUPAC Name]
(5R)-5-Methyl-2-(2-sulfanyl-2-propanyl)cyclohexanone [ACD/IUPAC Name]
(5R)-5-Méthyl-2-(2-sulfanyl-2-propanyl)cyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl-, (5R)- [ACD/Index Name]
253-953-1 [EINECS]
8-Mercaptomenthone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 273.1±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.1±3.0 kJ/mol
Flash Point: 108.3±0.0 °C
Index of Refraction: 1.490
Molar Refractivity: 54.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 79.77
ACD/KOC (pH 5.5): 799.76
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 79.72
ACD/KOC (pH 7.4): 799.21
Polar Surface Area: 56 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 186.7±3.0 cm3

Click to predict properties on the Chemicalize site


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