About sodium 2-dodecoxyethyl sulfate
sodium 2-dodecoxyethyl sulfate (PubChem CID 23665884) has the molecular formula C14H29NaO5S
and a molecular weight of 332.44 g/mol. Its IUPAC name is sodium 2-dodecoxyethyl sulfate.
Molecular Properties
| Compound Name | sodium 2-dodecoxyethyl sulfate |
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| PubChem CID | 23665884 |
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| Molecular Formula | C14H29NaO5S |
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| Molecular Weight | 332.44 g/mol |
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| Exact Mass | 332.16 |
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| IUPAC Name | sodium 2-dodecoxyethyl sulfate |
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| SMILES | CCCCCCCCCCCCOCCOS(=O)(=O)[O-].[Na+] |
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| InChI | InChI=1S/C14H30O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1 |
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| InChIKey | ASEFUFIKYOCPIJ-UHFFFAOYSA-M |
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| XLogP | 0.40 |
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| TPSA | 75.66 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 15 |
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| Heavy Atoms | 21 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 332.44 |
| LogP ≤ 5 | 0.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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 2-dodecoxyethyl sulfate?
The IUPAC name of sodium 2-dodecoxyethyl sulfate (CID 23665884) is sodium 2-dodecoxyethyl sulfate.
What is the SMILES notation for sodium 2-dodecoxyethyl sulfate?
The canonical SMILES for sodium 2-dodecoxyethyl sulfate is CCCCCCCCCCCCOCCOS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium 2-dodecoxyethyl sulfate?
The InChIKey is ASEFUFIKYOCPIJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H30O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1.
What are the key properties of sodium 2-dodecoxyethyl sulfate?
sodium 2-dodecoxyethyl sulfate has a molecular weight of 332.44 g/mol, XLogP of 0.40, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-dodecoxyethyl sulfate is sourced from PubChem (CID 23665884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).