ChemSpider 2D Image | (5S)-3-Chloro-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-4-(4-methyl-1-piperidinyl)-2(5H)-furanone | C20H32ClNO3

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

  • Molecular FormulaC20H32ClNO3
  • Average mass369.926 Da
  • Monoisotopic mass369.207062 Da
  • ChemSpider ID30656526

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5S)-3-Chlor-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-4-(4-methyl-1-piperidinyl)-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-Chloro-5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-4-(4-methyl-1-piperidinyl)-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-Chloro-5-{[(1R,2S,5R)-2-isopropyl-5-méthylcyclohexyl]oxy}-4-(4-méthyl-1-pipéridinyl)-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-chloro-5-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-4-(4-methyl-1-piperidinyl)-, (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: 473.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 239.9±28.7 °C
Index of Refraction: 1.529
Molar Refractivity: 100.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 2946.98
ACD/KOC (pH 5.5): 10591.91
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2947.01
ACD/KOC (pH 7.4): 10592.02
Polar Surface Area: 39 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 324.8±5.0 cm3

Click to predict properties on the Chemicalize site


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