D14D2+ | SBID = 2498 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 6.48
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 5.26
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: C26H52N4++
M / g/mol: 420.71788
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: D14D2+
  • Preferred Abbreviation: 1,1'-(tetradecane-1,14-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium)
  • IUPAC Name:
  • CAS:
  • CID: -1090
  • InChiKey: ZOCUNLOILFJUEU-UHFFFAOYSA-N
  • InChi: InChI=1S/C26H52N4/c1(3-5-7-9-11-19-29-21-13-27(14-22-29)15-23-29)2-4-6-8-10-12-20-30-24-16-28(17-25-30)18-26-30/h1-26H2/q+2
  • CanoSmiles: C(CCCCCC[N+]12CCN(CC1)CC2)CCCCCCC[N+]12CCN(CC1)CC2
  • IsoSmiles: N12CC[N+](CC2)(CCCCCCCCCCCCCC[N+]34CCN(CC4)CC3)CC1