ChemSpider 2D Image | methyl-pyridoxatin | C16H23NO3

methyl-pyridoxatin

  • Molecular FormulaC16H23NO3
  • Average mass277.359 Da
  • Monoisotopic mass277.167786 Da
  • ChemSpider ID61708613

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2(1H)-Pyridinone, 3-[(1R,2S,4R,6S)-2-ethenyl-4,6-dimethylcyclohexyl]-4-hydroxy-1-methoxy- [ACD/Index Name]
3-[(1R,2S,4R,6S)-2,4-Dimethyl-6-vinylcyclohexyl]-4-hydroxy-1-methoxy-2(1H)-pyridinon [German] [ACD/IUPAC Name]
3-[(1R,2S,4R,6S)-2,4-Dimethyl-6-vinylcyclohexyl]-4-hydroxy-1-methoxy-2(1H)-pyridinone [ACD/IUPAC Name]
3-[(1R,2S,4R,6S)-2,4-Diméthyl-6-vinylcyclohexyl]-4-hydroxy-1-méthoxy-2(1H)-pyridinone [French] [ACD/IUPAC Name]
methyl-pyridoxatin
Methyl pyridoxatin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 351.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 69.0±6.0 kJ/mol
Flash Point: 166.1±30.7 °C
Index of Refraction: 1.550
Molar Refractivity: 78.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 11.20
ACD/KOC (pH 5.5): 99.32
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.71
Polar Surface Area: 50 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 246.0±5.0 cm3

Click to predict properties on the Chemicalize site


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