o-(Me)2-1.1.1 | SBID = 1379 | 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: 9.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C16H30O9
M / g/mol: 366.41
Complexity:
Number of Conformers:

Identifiers

  • Tags: macrocycle, typical host
  • Name: o-(Me)2-1.1.1
  • Preferred Abbreviation: o-(Me)2-1.1.1
  • IUPAC Name:
  • CAS:
  • CID: -504
  • InChiKey: FKUHCFSNCIRCSU-IYBDPMFKSA-N
  • InChi: InChI=1S/C16H30O9/c1-15-20-9-3-17-6-12-23-16(2,24-13-7-18-4-10-21-15)25-14-8-19-5-11-22-15/h3-14H2,1-2H3/t15-,16+
  • CanoSmiles: CC1(OCCOCCO2)OCCOCCOC2(OCCOCCO1)C
  • IsoSmiles: CC1(OCCOCCO2)OCCOCCOC2(OCCOCCO1)C