ChemSpider 2D Image | 1,4-Dihydroxy-3-[(1R,2S,4R,6S)-2,4,6-trimethyl-2-vinylcyclohexyl]-2(1H)-pyridinone | C16H23NO3

1,4-Dihydroxy-3-[(1R,2S,4R,6S)-2,4,6-trimethyl-2-vinylcyclohexyl]-2(1H)-pyridinone

  • Molecular FormulaC16H23NO3
  • Average mass277.359 Da
  • Monoisotopic mass277.167786 Da
  • ChemSpider ID23326483

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,4-Dihydroxy-3-[(1R,2S,4R,6S)-2,4,6-trimethyl-2-vinylcyclohexyl]-2(1H)-pyridinon [German] [ACD/IUPAC Name]
1,4-Dihydroxy-3-[(1R,2S,4R,6S)-2,4,6-trimethyl-2-vinylcyclohexyl]-2(1H)-pyridinone [ACD/IUPAC Name]
1,4-Dihydroxy-3-[(1R,2S,4R,6S)-2,4,6-triméthyl-2-vinylcyclohexyl]-2(1H)-pyridinone [French] [ACD/IUPAC Name]
2(1H)-Pyridinone, 3-[(1R,2S,4R,6S)-2-ethenyl-2,4,6-trimethylcyclohexyl]-1,4-dihydroxy- [ACD/Index Name]
3-[(1R,2S,4R,6S)-2-ethenyl-2,4,6-trimethylcyclohexyl]-1,4-dihydroxypyridin-2(1H)-one
8-methyl pyridoxatin
cordypyridone A
Cordypyridone B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL453011/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 383.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.0±6.0 kJ/mol
Flash Point: 185.5±30.7 °C
Index of Refraction: 1.609
Molar Refractivity: 79.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 7.21
ACD/KOC (pH 5.5): 63.33
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 61 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 229.9±3.0 cm3

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