o-(Hout)2-1.1.1 | SBID = 1169 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 9.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C14H26O9
M / g/mol: 338.35084
Complexity:
Number of Conformers:

Identifiers

  • Tags: macrocycle, typical host
  • Name: o-(Hout)2-1.1.1
  • Preferred Abbreviation: o-(H)2-1.1.1
  • IUPAC Name:
  • CAS: 2056259-58-4
  • CID: -369
  • InChiKey: RPXVQLHEGDXTNW-UHFFFAOYSA-N
  • InChi: InChI=1S/C14H26O9/c1-7-18-13-20-9-3-16-5-11-22-14(19-8-2-15-1)23-12-6-17-4-10-21-13/h13-14H,1-12H2
  • CanoSmiles: O1CCOC2OCCOCCOC(OCC1)OCCOCCO2
  • IsoSmiles: [H]C1(OCCOCCO2)OCCOCCOC2([H])OCCOCCO1