ChemSpider 2D Image | (3E)-4-[1-(Methylsulfanyl)cyclohexyl]-3-buten-2-ol | C11H20OS

(3E)-4-[1-(Methylsulfanyl)cyclohexyl]-3-buten-2-ol

  • Molecular FormulaC11H20OS
  • Average mass200.341 Da
  • Monoisotopic mass200.123489 Da
  • ChemSpider ID62841159

More details:

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

(3E)-4-[1-(Methylsulfanyl)cyclohexyl]-3-buten-2-ol [ACD/IUPAC Name]
(3E)-4-[1-(Methylsulfanyl)cyclohexyl]-3-buten-2-ol [German] [ACD/IUPAC Name]
(3E)-4-[1-(Méthylsulfanyl)cyclohexyl]-3-butén-2-ol [French] [ACD/IUPAC Name]
3-Buten-2-ol, 4-[1-(methylthio)cyclohexyl]-, (3E)- [ACD/Index Name]
711028-55-6 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 300.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.7±6.0 kJ/mol
Flash Point: 146.4±21.9 °C
Index of Refraction: 1.523
Molar Refractivity: 60.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.96
ACD/KOC (pH 5.5): 986.59
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.96
ACD/KOC (pH 7.4): 986.59
Polar Surface Area: 46 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 38.5±5.0 dyne/cm
Molar Volume: 197.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement