ChemSpider 2D Image | (5S)-3-Chloro-4-(dimethylamino)-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-2(5H)-furanone | C16H26ClNO3

(5S)-3-Chloro-4-(dimethylamino)-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-2(5H)-furanone

  • Molecular FormulaC16H26ClNO3
  • Average mass315.836 Da
  • Monoisotopic mass315.160126 Da
  • ChemSpider ID30656736

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5S)-3-Chlor-4-(dimethylamino)-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-Chloro-4-(dimethylamino)-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-Chloro-4-(diméthylamino)-5-{[(1R,2S,5R)-2-isopropyl-5-méthylcyclohexyl]oxy}-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-chloro-4-(dimethylamino)-5-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-, (5S)- [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: 409.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 201.5±28.7 °C
Index of Refraction: 1.514
Molar Refractivity: 83.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 341.56
ACD/KOC (pH 5.5): 2264.80
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 341.66
ACD/KOC (pH 7.4): 2265.43
Polar Surface Area: 39 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 38.6±5.0 dyne/cm
Molar Volume: 278.1±5.0 cm3

Click to predict properties on the Chemicalize site


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