12-Crown-4 | SBID = 69 | Compound |
Structure
Molecular Properties
| Interactions: | 5 | ||
| PubChem TPSA/Å2: | 36.9 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.0 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 137.9 | ||
| Sum Formula: | C8H16O4 | ||
| M / g/mol: | 176.212 | ||
| Complexity: | 65.0 | ||
| Number of Conformers: | 8.0 |
Identifiers
- Tags: typical host, macrocycle
- Name: 12-Crown-4
- Preferred Abbreviation: 12-Crown-4
- IUPAC Name: 1,4,7,10-tetraoxacyclododecane
- CAS: 294-93-9
- CID: 9269
- InChiKey: XQQZRZQVBFHBHL-UHFFFAOYSA-N
- InChi: InChI=1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2
- CanoSmiles: C1COCCOCCOCCO1
- IsoSmiles: C1COCCOCCOCCO1
