About sodium nonyl sulfate
sodium nonyl sulfate (PubChem CID 23677967) has the molecular formula C9H19NaO4S
and a molecular weight of 246.30 g/mol. Its IUPAC name is sodium nonyl sulfate.
Molecular Properties
| Compound Name | sodium nonyl sulfate |
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| PubChem CID | 23677967 |
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| Molecular Formula | C9H19NaO4S |
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| Molecular Weight | 246.30 g/mol |
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| Exact Mass | 246.09 |
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| IUPAC Name | sodium nonyl sulfate |
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| SMILES | CCCCCCCCCOS(=O)(=O)[O-].[Na+] |
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| InChI | InChI=1S/C9H20O4S.Na/c1-2-3-4-5-6-7-8-9-13-14(10,11)12;/h2-9H2,1H3,(H,10,11,12);/q;+1/p-1 |
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| InChIKey | FTWCSAMTIKSPAT-UHFFFAOYSA-M |
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| XLogP | -0.78 |
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| TPSA | 66.43 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 15 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 246.30 |
| LogP ≤ 5 | -0.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of sodium nonyl sulfate?
The IUPAC name of sodium nonyl sulfate (CID 23677967) is sodium nonyl sulfate.
What is the SMILES notation for sodium nonyl sulfate?
The canonical SMILES for sodium nonyl sulfate is CCCCCCCCCOS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium nonyl sulfate?
The InChIKey is FTWCSAMTIKSPAT-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20O4S.Na/c1-2-3-4-5-6-7-8-9-13-14(10,11)12;/h2-9H2,1H3,(H,10,11,12);/q;+1/p-1.
What are the key properties of sodium nonyl sulfate?
sodium nonyl sulfate has a molecular weight of 246.30 g/mol, XLogP of -0.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium nonyl sulfate is sourced from PubChem (CID 23677967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).