[2.2.C8]Cryptand | SBID = 942 | Compound |
Structure
Molecular Properties
| Interactions: | 8 | ||
| PubChem TPSA/Å2: | 43.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.8 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 6.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 304.5 | ||
| Sum Formula: | C20H40N2O4 | ||
| M / g/mol: | 372.5 | ||
| Complexity: | 270.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: macrocycle, typical host
- Name: [2.2.C8]Cryptand
- Preferred Abbreviation: [2.2.C8]Cryptand
- IUPAC Name: 4,7,13,16-tetraoxa-1,10-diazabicyclo[8.8.8]hexacosane
- CAS:
- CID: 13447534
- InChiKey: JJTHKWDRXJXNAA-UHFFFAOYSA-N
- InChi: InChI=1S/C20H40N2O4/c1-2-4-6-8-22-11-15-25-19-17-23-13-9-21(7-5-3-1)10-14-24-18-20-26-16-12-22/h1-20H2
- CanoSmiles: C1CCCCN2CCOCCOCCN(CCC1)CCOCCOCC2
- IsoSmiles: C1CCCCN2CCOCCOCCN(CCC1)CCOCCOCC2
