o-(Me)2-2.2.2 | SBID = 1380 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

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: 12.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C22H42O12
M / g/mol: 498.56168
Complexity:
Number of Conformers:

Identifiers

  • Tags: macrocycle, typical host
  • Name: o-(Me)2-2.2.2
  • Preferred Abbreviation: o-(Me)2-2.2.2
  • IUPAC Name:
  • CAS:
  • CID: -505
  • InChiKey: LOHOFWAHYSWQLY-UHFFFAOYSA-N
  • InChi: InChI=1S/C22H42O12/c1-21-29-15-9-23-3-6-26-12-18-32-22(2,33-19-13-27-7-4-24-10-16-30-21)34-20-14-28-8-5-25-11-17-31-21/h3-20H2,1-2H3
  • CanoSmiles: CC12OCCOCCOCCOC(OCCOCCOCCO1)(OCCOCCOCCO2)C
  • IsoSmiles: CC(OCCOCCOCCO1)(OCCOCCOCCO2)OCCOCCOCCOC12C