1,3-dioxane | SBID = 1122 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 7 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| 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): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C4H8O2 | ||
| M / g/mol: | 88.10512 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: 1,3-dioxane
- Preferred Abbreviation: 1,3-dioxane
- IUPAC Name:
- CAS:
- CID: -358
- InChiKey: VDFVNEFVBPFDSB-UHFFFAOYSA-N
- InChi: InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2
- CanoSmiles: C1CCOCO1
- IsoSmiles: C1CCOCO1
