Diethyl ether | SBID = 448 | Compound |
Structure
Molecular Properties
| Interactions: | 6 | ||
| PubChem TPSA/Å2: | 9.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 68.1 | ||
| Sum Formula: | C4H10O | ||
| M / g/mol: | 74.12 | ||
| Complexity: | 11.0 | ||
| Number of Conformers: | 5.0 |
Identifiers
- Tags: typical guest
- Name: Diethyl ether
- Preferred Abbreviation: Diethylether
- IUPAC Name: ethoxyethane
- CAS: 60-29-7
- CID: 3283
- InChiKey: RTZKZFJDLAIYFH-UHFFFAOYSA-N
- InChi: InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
- CanoSmiles: CCOCC
- IsoSmiles: CCOCC
