Dicyclohexano-18-Crown-6 | SBID = 945 | Compound |
Structure
Molecular Properties
| Interactions: | 17 | ||
| PubChem TPSA/Å2: | 55.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.8 | ||
| 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): | 4.0 | ||
| 3D Volume/Å3: | 292.6 | ||
| Sum Formula: | C20H36O6 | ||
| M / g/mol: | 372.5 | ||
| Complexity: | 300.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: macrocycle, typical host
- Name: Dicyclohexano-18-Crown-6
- Preferred Abbreviation: Dicyclohexano-18-Crown-6
- IUPAC Name: 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
- CAS: 16069-36-6
- CID: 85955
- InChiKey: BBGKDYHZQOSNMU-UHFFFAOYSA-N
- InChi: InChI=1S/C20H36O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h17-20H,1-16H2
- CanoSmiles: C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2
- IsoSmiles: C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2
