2,2-Dimethoxypropane | SBID = 1265 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 18.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.6 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 88.1 | ||
| Sum Formula: | C5H12O2 | ||
| M / g/mol: | 104.15 | ||
| Complexity: | 44.0 | ||
| Number of Conformers: | 5.0 |
Identifiers
- Tags: typical guest
- Name: 2,2-Dimethoxypropane
- Preferred Abbreviation: 2,2-Dimethoxypropane
- IUPAC Name: 2,2-dimethoxypropane
- CAS: 77-76-9
- CID: 6495
- InChiKey: HEWZVZIVELJPQZ-UHFFFAOYSA-N
- InChi: InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3
- CanoSmiles: CC(C)(OC)OC
- IsoSmiles: CC(C)(OC)OC
