Found 2 results

Search term: CJKNMUYBZQGIAB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3S)-3-(Cyclohexylsulfanyl)cyclopentanone | C11H18OS

(3S)-3-(Cyclohexylsulfanyl)cyclopentanone

  • Molecular FormulaC11H18OS
  • Average mass198.325 Da
  • Monoisotopic mass198.107834 Da
  • ChemSpider ID97460565

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(Cyclohexylsulfanyl)cyclopentanon [German] [ACD/IUPAC Name]
(3S)-3-(Cyclohexylsulfanyl)cyclopentanone [ACD/IUPAC Name]
(3S)-3-(Cyclohexylsulfanyl)cyclopentanone [French] [ACD/IUPAC Name]
Cyclopentanone, 3-(cyclohexylthio)-, (3S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 323.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.6±3.0 kJ/mol
Flash Point: 164.4±11.7 °C
Index of Refraction: 1.527
Molar Refractivity: 57.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.55
ACD/KOC (pH 5.5): 457.43
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.55
ACD/KOC (pH 7.4): 457.43
Polar Surface Area: 42 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 39.7±5.0 dyne/cm
Molar Volume: 185.3±5.0 cm3

Click to predict properties on the Chemicalize site


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