About trimethoxyoxidanium
trimethoxyoxidanium (PubChem CID 20551287) has the molecular formula C3H9O4+
and a molecular weight of 109.10 g/mol. Its IUPAC name is trimethoxyoxidanium.
Molecular Properties
| Compound Name | trimethoxyoxidanium |
|---|
| PubChem CID | 20551287 |
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| Molecular Formula | C3H9O4+ |
|---|
| Molecular Weight | 109.10 g/mol |
|---|
| Exact Mass | 109.05 |
|---|
| IUPAC Name | trimethoxyoxidanium |
|---|
| SMILES | CO[O+](OC)OC |
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| InChI | InChI=1S/C3H9O4/c1-4-7(5-2)6-3/h1-3H3/q+1 |
|---|
| InChIKey | LHHOAJIIDTXSFR-UHFFFAOYSA-N |
|---|
| XLogP | 0.22 |
|---|
| TPSA | 30.39 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 7 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 109.10 |
| LogP ≤ 5 | 0.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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 trimethoxyoxidanium?
The IUPAC name of trimethoxyoxidanium (CID 20551287) is trimethoxyoxidanium.
What is the SMILES notation for trimethoxyoxidanium?
The canonical SMILES for trimethoxyoxidanium is CO[O+](OC)OC.
What is the InChIKey of trimethoxyoxidanium?
The InChIKey is LHHOAJIIDTXSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O4/c1-4-7(5-2)6-3/h1-3H3/q+1.
What are the key properties of trimethoxyoxidanium?
trimethoxyoxidanium has a molecular weight of 109.10 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxyoxidanium is sourced from PubChem (CID 20551287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).