4,7,13,18-Tetraoxa-1,10-diazabicyclo[8.5.5]icosane | SBID = 237 | Compound |
Structure
Molecular Properties
| Interactions: | 23 | ||
| PubChem TPSA/Å2: | 43.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.7 | ||
| 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: | 228.5 | ||
| Sum Formula: | C14H28N2O4 | ||
| M / g/mol: | 288.388 | ||
| Complexity: | 207.0 | ||
| Number of Conformers: | 5.0 |
Identifiers
- Tags: macrocycle, typical host
- Name: 4,7,13,18-Tetraoxa-1,10-diazabicyclo[8.5.5]icosane
- Preferred Abbreviation: [2.1.1]Cryptand
- IUPAC Name: 4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]icosane
- CAS: 31250-06-3
- CID: 169276
- InChiKey: LVNQVIZBPSRXAN-UHFFFAOYSA-N
- InChi: InChI=1S/C14H28N2O4/c1-7-17-9-3-16-4-10-18-8-2-15(1)5-11-19-13-14-20-12-6-16/h1-14H2
- CanoSmiles: C1COCCN2CCOCCN1CCOCCOCC2
- IsoSmiles: C1COCCN2CCOCCN1CCOCCOCC2
