ChemSpider 2D Image | 3-{(1R)-2-[(1R,3S)-3-Acetoxy-2,2,6-trimethyl-6-vinylcyclohexyl]-1-hydroxyethyl}-5-methoxy-1-methyl-4-oxo-2,5-cyclohexadienylium | C23H33O5

3-{(1R)-2-[(1R,3S)-3-Acetoxy-2,2,6-trimethyl-6-vinylcyclohexyl]-1-hydroxyethyl}-5-methoxy-1-methyl-4-oxo-2,5-cyclohexadienylium

  • Molecular FormulaC23H33O5
  • Average mass389.505 Da
  • Monoisotopic mass389.232239 Da
  • ChemSpider ID77409555
  • Charge - Charge

    defined stereocentres - 3 of 4 defined stereocentres


More details:






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

2,5-Cyclohexadienylium, 3-[(1R)-2-[(1R,3S)-3-(acetyloxy)-6-ethenyl-2,2,6-trimethylcyclohexyl]-1-hydroxyethyl]-5-methoxy-1-methyl-4-oxo- [ACD/Index Name]
3-{(1R)-2-[(1R,3S)-3-Acetoxy-2,2,6-trimethyl-6-vinylcyclohexyl]-1-hydroxyethyl}-5-methoxy-1-methyl-4-oxo-2,5-cyclohexadienylium [German] [ACD/IUPAC Name]
3-{(1R)-2-[(1R,3S)-3-Acetoxy-2,2,6-trimethyl-6-vinylcyclohexyl]-1-hydroxyethyl}-5-methoxy-1-methyl-4-oxo-2,5-cyclohexadienylium [ACD/IUPAC Name]
3-{(1R)-2-[(1R,3S)-3-Acétoxy-2,2,6-triméthyl-6-vinylcyclohexyl]-1-hydroxyéthyl}-5-méthoxy-1-méthyl-4-oxo-2,5-cyclohexadiénylium [French] [ACD/IUPAC Name]

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

Density:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 73 Å2
Polarizability:
Surface Tension:
Molar Volume:

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