ChemSpider 2D Image | 2-{[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-2-methyl-1,2,3,4-tetrahydroisoquinolinium | C20H28N

2-{[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-2-methyl-1,2,3,4-tetrahydroisoquinolinium

  • Molecular FormulaC20H28N
  • Average mass282.443 Da
  • Monoisotopic mass282.221619 Da
  • ChemSpider ID28651462

  • Charge - Charge

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-{[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-2-methyl-1,2,3,4-tetrahydroisochinolinium [German] [ACD/IUPAC Name]
2-{[(1R,5S)-6,6-Diméthylbicyclo[3.1.1]hept-2-én-2-yl]méthyl}-2-méthyl-1,2,3,4-tétrahydroisoquinoléinium [French] [ACD/IUPAC Name]
2-{[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-2-methyl-1,2,3,4-tetrahydroisoquinolinium [ACD/IUPAC Name]
Isoquinolinium, 2-[[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl]-1,2,3,4-tetrahydro-2-methyl- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.58
ACD/KOC (pH 5.5): 86.69
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.58
ACD/KOC (pH 7.4): 86.69
Polar Surface Area: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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