4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane | SBID = 380 | Compound |
Structure
Molecular Properties
| Interactions: | 24 | ||
| PubChem TPSA/Å2: | 61.9 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -1.0 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 8.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 297.3 | ||
| Sum Formula: | C18H36N2O6 | ||
| M / g/mol: | 376.494 | ||
| Complexity: | 247.0 | ||
| Number of Conformers: | 8.0 |
Identifiers
- Tags: macrocycle, typical host
- Name: 4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
- Preferred Abbreviation: [2.2.2]Cryptand
- IUPAC Name: 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
- CAS: 23978-09-8
- CID: 72801
- InChiKey: AUFVJZSDSXXFOI-UHFFFAOYSA-N
- InChi: InChI=1S/C18H36N2O6/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20/h1-18H2
- CanoSmiles: C1COCCOCCN2CCOCCOCCN1CCOCCOCC2
- IsoSmiles: C1COCCOCCN2CCOCCOCCN1CCOCCOCC2
