Tetrabutylammonium squaric acid | SBID = 1969 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: -1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C20H36NO4-
M / g/mol: 354.50414
Complexity:
Number of Conformers:

Identifiers

  • Tags: anion, typical guest, charged
  • Name: Tetrabutylammonium squaric acid
  • Preferred Abbreviation: Tetrabutylammonium squaric acid
  • IUPAC Name:
  • CAS:
  • CID: -844
  • InChiKey: UNPQGKATZKFGQC-UHFFFAOYSA-L
  • InChi: InChI=1S/C16H36N.C4H2O4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;5-1-2(6)4(8)3(1)7/h5-16H2,1-4H3;5-6H/q+1;/p-2
  • CanoSmiles: [O-]C1=C([O-])C(=O)C1=O.CCCC[N+](CCCC)(CCCC)CCCC
  • IsoSmiles: O=C1C([O-])=C([O-])C1=O.CCCC[N+](CCCC)(CCCC)CCCC