About tetramethoxyazanium
tetramethoxyazanium (PubChem CID 18504549) has the molecular formula C4H12NO4+
and a molecular weight of 138.14 g/mol. Its IUPAC name is tetramethoxyazanium.
Molecular Properties
| Compound Name | tetramethoxyazanium |
|---|
| PubChem CID | 18504549 |
|---|
| Molecular Formula | C4H12NO4+ |
|---|
| Molecular Weight | 138.14 g/mol |
|---|
| Exact Mass | 138.08 |
|---|
| IUPAC Name | tetramethoxyazanium |
|---|
| SMILES | CO[N+](OC)(OC)OC |
|---|
| InChI | InChI=1S/C4H12NO4/c1-6-5(7-2,8-3)9-4/h1-4H3/q+1 |
|---|
| InChIKey | KXNLMDWXZCEOMY-UHFFFAOYSA-N |
|---|
| XLogP | 0.05 |
|---|
| TPSA | 36.92 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 9 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 138.14 |
| LogP ≤ 5 | 0.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of tetramethoxyazanium?
The IUPAC name of tetramethoxyazanium (CID 18504549) is tetramethoxyazanium.
What is the SMILES notation for tetramethoxyazanium?
The canonical SMILES for tetramethoxyazanium is CO[N+](OC)(OC)OC.
What is the InChIKey of tetramethoxyazanium?
The InChIKey is KXNLMDWXZCEOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO4/c1-6-5(7-2,8-3)9-4/h1-4H3/q+1.
What are the key properties of tetramethoxyazanium?
tetramethoxyazanium has a molecular weight of 138.14 g/mol, XLogP of 0.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethoxyazanium is sourced from PubChem (CID 18504549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).