Diisopropyl methylphosphonate | SBID = 1624 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 35.5 | ||
| 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: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 141.4 | ||
| Sum Formula: | C7H17O3P | ||
| M / g/mol: | 180.18 | ||
| Complexity: | 140.0 | ||
| Number of Conformers: | 8.0 |
Identifiers
- Tags: typical guest, charged
- Name: Diisopropyl methylphosphonate
- Preferred Abbreviation: Diisopropyl methylphosphonate
- IUPAC Name: 2-[methyl(propan-2-yloxy)phosphoryl]oxypropane
- CAS: 1445-75-6
- CID: 3073
- InChiKey: WOAFDHWYKSOANX-UHFFFAOYSA-N
- InChi: InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3
- CanoSmiles: CC(C)OP(=O)(C)OC(C)C
- IsoSmiles: CC(C)OP(=O)(C)OC(C)C
