C-tetra(pentyl)calix[4]resorcinarene | SBID = 1614 | 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: | C48H64O8 | ||
| M / g/mol: | 769.01696 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: macrocycle, typical host
- Name: C-tetra(pentyl)calix[4]resorcinarene
- Preferred Abbreviation: Cx4R-C5
- IUPAC Name:
- CAS:
- CID: -641
- InChiKey: LRJAHNNLOBUXBG-UHFFFAOYSA-N
- InChi: InChI=1S/C48H64O8/c1-5-9-13-17-29-33-21-35(43(51)25-41(33)49)30(18-14-10-6-2)37-23-39(47(55)27-45(37)53)32(20-16-12-8-4)40-24-38(46(54)28-48(40)56)31(19-15-11-7-3)36-22-34(29)42(50)26-44(36)52/h21-32,49-56H,5-20H2,1-4H3
- CanoSmiles: CCCCCC1c2cc(c(cc2O)O)C(CCCCC)c2cc(c(cc2O)O)C(c2cc(C(c3cc1c(O)cc3O)CCCCC)c(O)cc2O)CCCCC
- IsoSmiles: CCCCCC1c2cc(C(CCCCC)c3cc(C(CCCCC)c4cc(C(CCCCC)c5cc1c(O)cc5O)c(O)cc4O)c(O)cc3O)c(O)cc2O
