ChemSpider 2D Image | 3-(5-Chloro-2,4-dimethylhexanoyl)-4-hydroxy-5,6-dimethoxy-2(1H)-pyridinone | C15H22ClNO5

3-(5-Chloro-2,4-dimethylhexanoyl)-4-hydroxy-5,6-dimethoxy-2(1H)-pyridinone

  • Molecular FormulaC15H22ClNO5
  • Average mass331.792 Da
  • Monoisotopic mass331.118652 Da
  • ChemSpider ID78444122

More details:

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

2(1H)-Pyridinone, 3-(5-chloro-2,4-dimethyl-1-oxohexyl)-4-hydroxy-5,6-dimethoxy- [ACD/Index Name]
3-(5-Chlor-2,4-dimethylhexanoyl)-4-hydroxy-5,6-dimethoxy-2(1H)-pyridinon [German] [ACD/IUPAC Name]
3-(5-Chloro-2,4-dimethylhexanoyl)-4-hydroxy-5,6-dimethoxy-2(1H)-pyridinone [ACD/IUPAC Name]
3-(5-Chloro-2,4-diméthylhexanoyl)-4-hydroxy-5,6-diméthoxy-2(1H)-pyridinone [French] [ACD/IUPAC Name]
Atpenin A4

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 505.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.2±6.0 kJ/mol
Flash Point: 259.4±30.1 °C
Index of Refraction: 1.524
Molar Refractivity: 82.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.39
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 268.0±5.0 cm3

Click to predict properties on the Chemicalize site


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