7,16-dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane | SBID = 943 | Compound |
Structure
Molecular Properties
| Interactions: | 8 | ||
| PubChem TPSA/Å2: | 43.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.5 | ||
| 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: | 236.1 | ||
| Sum Formula: | C14H30N2O4 | ||
| M / g/mol: | 290.4 | ||
| Complexity: | 177.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: macrocycle, typical host
- Name: 7,16-dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
- Preferred Abbreviation: Dimethyl-tetraoxa-diazacyclooctadecane
- IUPAC Name: 7,16-dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
- CAS:
- CID: 2829027
- InChiKey: ULQDNFAINYMRKP-UHFFFAOYSA-N
- InChi: InChI=1S/C14H30N2O4/c1-15-3-7-17-11-13-19-9-5-16(2)6-10-20-14-12-18-8-4-15/h3-14H2,1-2H3
- CanoSmiles: CN1CCOCCOCCN(CCOCCOCC1)C
- IsoSmiles: CN1CCOCCOCCN(CCOCCOCC1)C
