o-(Me)2-2.1.1 | SBID = 1377 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 7
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: 10.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C18H34O10
M / g/mol: 410.45656
Complexity:
Number of Conformers:

Identifiers

  • Tags: macrocycle, typical host
  • Name: o-(Me)2-2.1.1
  • Preferred Abbreviation: o-(Me)2-2.1.1
  • IUPAC Name:
  • CAS:
  • CID: -502
  • InChiKey: KQCDFLKGHDECRP-UHFFFAOYSA-N
  • InChi: InChI=1S/C18H34O10/c1-17-23-11-5-19-3-4-20-6-12-24-18(2,27-15-9-21-7-13-25-17)28-16-10-22-8-14-26-17/h3-16H2,1-2H3
  • CanoSmiles: C[C@]12OCCOCCO[C@@](OCCOCCO1)(C)OCCOCCOCCO2
  • IsoSmiles: C[C@@]1(OCCOCCOCCO2)OCCOCCO[C@@]2(C)OCCOCCO1