Diethyl methylphosphonate | SBID = 1623 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 35.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 116.4 | ||
| Sum Formula: | C5H13O3P | ||
| M / g/mol: | 152.13 | ||
| Complexity: | 103.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: Diethyl methylphosphonate
- Preferred Abbreviation: Diethyl methylphosphonate
- IUPAC Name: 1-[ethoxy(methyl)phosphoryl]oxyethane
- CAS: 683-08-9
- CID: 12685
- InChiKey: NYYLZXREFNYPKB-UHFFFAOYSA-N
- InChi: InChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3
- CanoSmiles: CCOP(=O)(C)OCC
- IsoSmiles: CCOP(=O)(C)OCC
