4,5-dimethyl-2-phenyl-1,3-dioxolane | SBID = 2682 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 18.5 | ||
| Ertl TPSA/Å2: | 18.46 | ||
| Hydrophilicity (PubChem XLogP): | 2.2 | ||
| Hydrophilicity (Cheng XLogP3): | 2.2 | ||
| 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): | 2.0 | ||
| 3D Volume/Å3: | 145.9 | ||
| Sum Formula: | C11H14O2 | ||
| M / g/mol: | 178.23 | ||
| Complexity: | 154.0 | ||
| Number of Conformers: | 5.0 |
Identifiers
- Tags:
- Name: 4,5-dimethyl-2-phenyl-1,3-dioxolane
- Preferred Abbreviation: 1,3-Dioxolane, 4,5-dimethyl-2-phenyl-
- IUPAC Name: 4,5-dimethyl-2-phenyl-1,3-dioxolane
- CAS:
- CID: 221639
- InChiKey: KELZBYQXUNVXEU-UHFFFAOYSA-N
- InChi: InChI=1S/C11H14O2/c1-8-9(2)13-11(12-8)10-6-4-3-5-7-10/h3-9,11H,1-2H3
- CanoSmiles: CC1C(OC(O1)C2=CC=CC=C2)C
- IsoSmiles: CC1C(OC(O1)C2=CC=CC=C2)C
