About trimethyl phosphite
trimethyl phosphite (PubChem CID 8472) has the molecular formula C3H9O3P
and a molecular weight of 124.08 g/mol. Its IUPAC name is trimethyl phosphite.
Molecular Properties
| Compound Name | trimethyl phosphite |
| PubChem CID | 8472 |
| Molecular Formula | C3H9O3P |
| Molecular Weight | 124.08 g/mol |
| Exact Mass | 124.03 |
| IUPAC Name | trimethyl phosphite |
| SMILES | COP(OC)OC |
| InChI | InChI=1S/C3H9O3P/c1-4-7(5-2)6-3/h1-3H3 |
| InChIKey | CYTQBVOFDCPGCX-UHFFFAOYSA-N |
| XLogP | 1.15 |
| TPSA | 27.69 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 7 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 124.08 |
| LogP ≤ 5 | 1.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of trimethyl phosphite?
The IUPAC name of trimethyl phosphite (CID 8472) is trimethyl phosphite.
What is the SMILES notation for trimethyl phosphite?
The canonical SMILES for trimethyl phosphite is COP(OC)OC.
What is the InChIKey of trimethyl phosphite?
The InChIKey is CYTQBVOFDCPGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O3P/c1-4-7(5-2)6-3/h1-3H3.
What are the key properties of trimethyl phosphite?
trimethyl phosphite has a molecular weight of 124.08 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl phosphite is sourced from PubChem (CID 8472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).