Resorcin[4]arene | SBID = 855 | Compound | Custom Molecule
Structure
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: | C35H40O8 | ||
| M / g/mol: | 588.6873 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: Resorcin[4]arene
- Preferred Abbreviation: Cx4R
- IUPAC Name:
- CAS:
- CID: -249
- InChiKey:
- InChi: 1S/C33H34O8.C2H6/c1-5-17-24-8-22(30(38)12-32(24)40)15(3)20-6-18(26(34)10-28(20)36)14(2)19-7-21(29(37)11-27(19)35)16(4)23-9-25(17)33(41)13-31(23)39;1-2/h6-17,34-41H,5H2,1-4H3;1-2H3
- CanoSmiles:
- IsoSmiles: CCC1c2cc(C(C)c3cc(C(C)c4cc(C(C)c5cc1c(O)cc5O)c(O)cc4O)c(O)cc3O)c(O)cc2O
