7,16-Bis[2-(2-methoxyethoxy)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane | SBID = 944 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 80.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -1.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 10.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 373.3 | ||
| Sum Formula: | C22H46N2O8 | ||
| M / g/mol: | 466.6 | ||
| Complexity: | 328.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: macrocycle, typical host
- Name: 7,16-Bis[2-(2-methoxyethoxy)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
- Preferred Abbreviation: 7,16-Bis[2-(2-methoxyethoxy)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
- IUPAC Name: 7,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
- CAS:
- CID: 13230360
- InChiKey: CIZFARXIGJPQKI-UHFFFAOYSA-N
- InChi: InChI=1S/C22H46N2O8/c1-25-15-17-27-9-3-23-5-11-29-19-21-31-13-7-24(4-10-28-18-16-26-2)8-14-32-22-20-30-12-6-23/h3-22H2,1-2H3
- CanoSmiles: COCCOCCN1CCOCCOCCN(CCOCCOCC1)CCOCCOC
- IsoSmiles: COCCOCCN1CCOCCOCCN(CCOCCOCC1)CCOCCOC
