ChemSpider 2D Image | 4-{(2R)-2-[(1R,3R,5S)-3,5-Dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-2,6-piperidinedione | C15H23NO4

4-{(2R)-2-[(1R,3R,5S)-3,5-Dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-2,6-piperidinedione

  • Molecular FormulaC15H23NO4
  • Average mass281.347 Da
  • Monoisotopic mass281.162720 Da
  • ChemSpider ID95636781

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2,6-Piperidinedione, 4-[(2R)-2-[(1R,3R,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]- [ACD/Index Name]
4-{(2R)-2-[(1R,3R,5S)-3,5-Dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-2,6-piperidindion [German] [ACD/IUPAC Name]
4-{(2R)-2-[(1R,3R,5S)-3,5-Dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-2,6-piperidinedione [ACD/IUPAC Name]
4-{(2R)-2-[(1R,3R,5S)-3,5-Diméthyl-2-oxocyclohexyl]-2-hydroxyéthyl}-2,6-pipéridinedione [French] [ACD/IUPAC 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: 491.8±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.4±6.0 kJ/mol
Flash Point: 251.2±19.0 °C
Index of Refraction: 1.499
Molar Refractivity: 72.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.52
ACD/KOC (pH 5.5): 67.44
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.52
ACD/KOC (pH 7.4): 67.44
Polar Surface Area: 83 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 247.5±3.0 cm3

Click to predict properties on the Chemicalize site


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