15-crown-5 | SBID = 713 | Compound |
Structure
Molecular Properties
| Interactions: | 8 | ||
| PubChem TPSA/Å2: | 46.2 | ||
| 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: | 5.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 172.8 | ||
| Sum Formula: | C10H20O5 | ||
| M / g/mol: | 220.26 | ||
| Complexity: | 86.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: macrocycle, typical host
- Name: 15-crown-5
- Preferred Abbreviation: 15-Crown-5
- IUPAC Name: 1,4,7,10,13-pentaoxacyclopentadecane
- CAS: 33100-27-5
- CID: 36336
- InChiKey: VFTFKUDGYRBSAL-UHFFFAOYSA-N
- InChi: InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2
- CanoSmiles: C1COCCOCCOCCOCCO1
- IsoSmiles: C1COCCOCCOCCOCCO1
