C-tetra(methyl)calix[4]resorcinarene | SBID = 1615 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 8.0
Number of H-Bond Acceptors: 8.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C32H32O8
M / g/mol: 544.59168
Complexity:
Number of Conformers:

Identifiers

  • Tags: macrocycle, calixarene, typical host
  • Name: C-tetra(methyl)calix[4]resorcinarene
  • Preferred Abbreviation: Cx4R-C2
  • IUPAC Name:
  • CAS:
  • CID: -642
  • InChiKey: WGDNYTQTRISCMM-UHFFFAOYSA-N
  • InChi: InChI=1S/C32H32O8/c1-13-17-5-19(27(35)9-25(17)33)14(2)21-7-23(31(39)11-29(21)37)16(4)24-8-22(30(38)12-32(24)40)15(3)20-6-18(13)26(34)10-28(20)36/h5-16,33-40H,1-4H3
  • CanoSmiles: CC1c2cc(c(cc2O)O)C(C)c2cc(c(cc2O)O)C(c2cc(C(c3cc1c(O)cc3O)C)c(O)cc2O)C
  • IsoSmiles: CC1c2cc(C(C)c3cc(C(C)c4cc(C(C)c5cc1c(O)cc5O)c(O)cc4O)c(O)cc3O)c(O)cc2O