(2,2-dimethyl-1,3-dioxolan-4-yl)methanol | SBID = 2669 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 38.7 | ||
| Ertl TPSA/Å2: | 38.69 | ||
| Hydrophilicity (PubChem XLogP): | -0.2 | ||
| Hydrophilicity (Cheng XLogP3): | -0.2 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 103.3 | ||
| Sum Formula: | C6H12O3 | ||
| M / g/mol: | 132.16 | ||
| Complexity: | 101.0 | ||
| Number of Conformers: | 6.0 |
Identifiers
- Tags:
- Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methanol
- Preferred Abbreviation: Solketal
- IUPAC Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methanol
- CAS:
- CID: 7528
- InChiKey: RNVYQYLELCKWAN-UHFFFAOYSA-N
- InChi: InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3
- CanoSmiles: CC1(OCC(O1)CO)C
- IsoSmiles: CC1(OCC(O1)CO)C
