About dimethyl(oxido)oxidanium
dimethyl(oxido)oxidanium (PubChem CID 100975344) has the molecular formula C2H6O2
and a molecular weight of 62.07 g/mol. Its IUPAC name is dimethyl(oxido)oxidanium.
Molecular Properties
| Compound Name | dimethyl(oxido)oxidanium |
|---|
| PubChem CID | 100975344 |
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| Molecular Formula | C2H6O2 |
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| Molecular Weight | 62.07 g/mol |
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| Exact Mass | 62.04 |
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| IUPAC Name | dimethyl(oxido)oxidanium |
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| SMILES | C[O+](C)[O-] |
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| InChI | InChI=1S/C2H6O2/c1-4(2)3/h1-2H3 |
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| InChIKey | BUBHPYCMNJXSEL-UHFFFAOYSA-N |
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| XLogP | -0.93 |
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| TPSA | 25.76 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 | 4 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 62.07 |
| LogP ≤ 5 | -0.93 |
| 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 dimethyl(oxido)oxidanium?
The IUPAC name of dimethyl(oxido)oxidanium (CID 100975344) is dimethyl(oxido)oxidanium.
What is the SMILES notation for dimethyl(oxido)oxidanium?
The canonical SMILES for dimethyl(oxido)oxidanium is C[O+](C)[O-].
What is the InChIKey of dimethyl(oxido)oxidanium?
The InChIKey is BUBHPYCMNJXSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2/c1-4(2)3/h1-2H3.
What are the key properties of dimethyl(oxido)oxidanium?
dimethyl(oxido)oxidanium has a molecular weight of 62.07 g/mol, XLogP of -0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(oxido)oxidanium is sourced from PubChem (CID 100975344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).