About (trimethylazaniumyl)methanolate
(trimethylazaniumyl)methanolate (PubChem CID 58581281) has the molecular formula C4H11NO
and a molecular weight of 89.14 g/mol. Its IUPAC name is (trimethylazaniumyl)methanolate.
Molecular Properties
| Compound Name | (trimethylazaniumyl)methanolate |
|---|
| PubChem CID | 58581281 |
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| Molecular Formula | C4H11NO |
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| Molecular Weight | 89.14 g/mol |
|---|
| Exact Mass | 89.08 |
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| IUPAC Name | (trimethylazaniumyl)methanolate |
|---|
| SMILES | C[N+](C)(C)C[O-] |
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| InChI | InChI=1S/C4H11NO/c1-5(2,3)4-6/h4H2,1-3H3 |
|---|
| InChIKey | IBUGAESONBFWPQ-UHFFFAOYSA-N |
|---|
| XLogP | -0.99 |
|---|
| TPSA | 23.06 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 6 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 89.14 |
| LogP ≤ 5 | -0.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of (trimethylazaniumyl)methanolate?
The IUPAC name of (trimethylazaniumyl)methanolate (CID 58581281) is (trimethylazaniumyl)methanolate.
What is the SMILES notation for (trimethylazaniumyl)methanolate?
The canonical SMILES for (trimethylazaniumyl)methanolate is C[N+](C)(C)C[O-].
What is the InChIKey of (trimethylazaniumyl)methanolate?
The InChIKey is IBUGAESONBFWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO/c1-5(2,3)4-6/h4H2,1-3H3.
What are the key properties of (trimethylazaniumyl)methanolate?
(trimethylazaniumyl)methanolate has a molecular weight of 89.14 g/mol, XLogP of -0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (trimethylazaniumyl)methanolate is sourced from PubChem (CID 58581281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).