18-Crown-6 | SBID = 714 | Compound |
Structure
Molecular Properties
| Interactions: | 18 | ||
| PubChem TPSA/Å2: | 55.4 | ||
| 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: | 207.6 | ||
| Sum Formula: | C12H24O6 | ||
| M / g/mol: | 264.31 | ||
| Complexity: | 108.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical host, macrocycle
- Name: 18-Crown-6
- Preferred Abbreviation: 18-Crown-6
- IUPAC Name: 1,4,7,10,13,16-hexaoxacyclooctadecane
- CAS: 17455-13-9
- CID: 28557
- InChiKey: XEZNGIUYQVAUSS-UHFFFAOYSA-N
- InChi: InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
- CanoSmiles: C1COCCOCCOCCOCCOCCO1
- IsoSmiles: C1COCCOCCOCCOCCOCCO1
