4,7,10,16,19,22,27,30-Octaoxa-1,13-diazabicyclo[11.11.8]dotriacontan-28-ylmethanol | SBID = 940 | Compound |
Structure
Molecular Properties
| Interactions: | 13 | ||
| PubChem TPSA/Å2: | 101.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -1.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 11.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 386.7 | ||
| Sum Formula: | C23H46N2O9 | ||
| M / g/mol: | 494.6 | ||
| Complexity: | 425.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: macrocycle, typical host
- Name: 4,7,10,16,19,22,27,30-Octaoxa-1,13-diazabicyclo[11.11.8]dotriacontan-28-ylmethanol
- Preferred Abbreviation: [3.3.2]Cryptand
- IUPAC Name: 4,7,10,16,19,22,27,30-octaoxa-1,13-diazabicyclo[11.11.8]dotriacontan-28-ylmethanol
- CAS:
- CID: 21793212
- InChiKey: QDVOTAVUWUZYID-UHFFFAOYSA-N
- InChi: InChI=1S/C23H46N2O9/c26-21-23-22-33-11-5-24-1-7-27-13-17-31-19-15-29-9-3-25(6-12-34-23)4-10-30-16-20-32-18-14-28-8-2-24/h23,26H,1-22H2
- CanoSmiles: C1COCCOCCOCCN2CCOCCOCCOCCN1CCOCC(OCC2)CO
- IsoSmiles: C1COCCOCCOCCN2CCOCCOCCOCCN1CCOCC(OCC2)CO
