4,4'-(ethane-1,2-diyl)bis(1-(tert-butyl)pyridin-1-ium) | SBID = 2424 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 7.76
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 4.04
Charge: 2.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C20H30N2++
M / g/mol: 298.4656
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 4,4'-(ethane-1,2-diyl)bis(1-(tert-butyl)pyridin-1-ium)
  • Preferred Abbreviation: 4,4'-(ethane-1,2-diyl)bis(1-(tert-butyl)pyridin-1-ium)
  • IUPAC Name:
  • CAS:
  • CID: -1025
  • InChiKey: YMXCCRMRPAFSFB-UHFFFAOYSA-N
  • InChi: InChI=1S/C20H30N2/c1-19(2,3)21-13-9-17(10-14-21)7-8-18-11-15-22(16-12-18)20(4,5)6/h9-16H,7-8H2,1-6H3/q+2
  • CanoSmiles: CC([n+]1ccc(cc1)CCc1cc[n+](cc1)C(C)(C)C)(C)C
  • IsoSmiles: CC(C)(C)[N+](C=C1)=CC=C1CCC2=CC=[N+](C(C)(C)C)C=C2