About methoxyoxidanium
methoxyoxidanium (PubChem CID 59887555) has the molecular formula CH5O2+
and a molecular weight of 49.05 g/mol. Its IUPAC name is methoxyoxidanium.
Molecular Properties
| Compound Name | methoxyoxidanium |
|---|
| PubChem CID | 59887555 |
|---|
| Molecular Formula | CH5O2+ |
|---|
| Molecular Weight | 49.05 g/mol |
|---|
| Exact Mass | 49.03 |
|---|
| IUPAC Name | methoxyoxidanium |
|---|
| SMILES | CO[OH2+] |
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| InChI | InChI=1S/CH4O2/c1-3-2/h2H,1H3/p+1 |
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| InChIKey | MEUKEBNAABNAEX-UHFFFAOYSA-O |
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| XLogP | -0.73 |
|---|
| TPSA | 32.13 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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| Heavy Atoms | 3 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 49.05 |
| LogP ≤ 5 | -0.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of methoxyoxidanium?
The IUPAC name of methoxyoxidanium (CID 59887555) is methoxyoxidanium.
What is the SMILES notation for methoxyoxidanium?
The canonical SMILES for methoxyoxidanium is CO[OH2+].
What is the InChIKey of methoxyoxidanium?
The InChIKey is MEUKEBNAABNAEX-UHFFFAOYSA-O. The full InChI is InChI=1S/CH4O2/c1-3-2/h2H,1H3/p+1.
What are the key properties of methoxyoxidanium?
methoxyoxidanium has a molecular weight of 49.05 g/mol, XLogP of -0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyoxidanium is sourced from PubChem (CID 59887555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).