About potassium docosanoate
potassium docosanoate (PubChem CID 23663647) has the molecular formula C22H43KO2
and a molecular weight of 378.68 g/mol. Its IUPAC name is potassium docosanoate.
Molecular Properties
| Compound Name | potassium docosanoate |
|---|
| PubChem CID | 23663647 |
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| Molecular Formula | C22H43KO2 |
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| Molecular Weight | 378.68 g/mol |
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| Exact Mass | 378.29 |
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| IUPAC Name | potassium docosanoate |
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| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[K+] |
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| InChI | InChI=1S/C22H44O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);/q;+1/p-1 |
|---|
| InChIKey | FYFUQDOEHQSBFN-UHFFFAOYSA-M |
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| XLogP | 3.56 |
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| TPSA | 40.13 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 20 |
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| Heavy Atoms | 25 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 378.68 |
| LogP ≤ 5 | 3.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of potassium docosanoate?
The IUPAC name of potassium docosanoate (CID 23663647) is potassium docosanoate.
What is the SMILES notation for potassium docosanoate?
The canonical SMILES for potassium docosanoate is CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[K+].
What is the InChIKey of potassium docosanoate?
The InChIKey is FYFUQDOEHQSBFN-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H44O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);/q;+1/p-1.
What are the key properties of potassium docosanoate?
potassium docosanoate has a molecular weight of 378.68 g/mol, XLogP of 3.56, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium docosanoate is sourced from PubChem (CID 23663647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).