About 5-(2-hydroxyethyldisulfanyl)pentan-1-ol
5-(2-hydroxyethyldisulfanyl)pentan-1-ol (PubChem CID 54440905) has the molecular formula C7H16O2S2
and a molecular weight of 196.34 g/mol. Its IUPAC name is 5-(2-hydroxyethyldisulfanyl)pentan-1-ol.
Molecular Properties
| Compound Name | 5-(2-hydroxyethyldisulfanyl)pentan-1-ol |
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| PubChem CID | 54440905 |
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| Molecular Formula | C7H16O2S2 |
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| Molecular Weight | 196.34 g/mol |
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| Exact Mass | 196.06 |
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| IUPAC Name | 5-(2-hydroxyethyldisulfanyl)pentan-1-ol |
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| SMILES | OCCCCCSSCCO |
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| InChI | InChI=1S/C7H16O2S2/c8-4-2-1-3-6-10-11-7-5-9/h8-9H,1-7H2 |
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| InChIKey | WOADAXABXLKHBE-UHFFFAOYSA-N |
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| XLogP | 1.52 |
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| TPSA | 40.46 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 11 |
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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 | 196.34 |
| LogP ≤ 5 | 1.52 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5-(2-hydroxyethyldisulfanyl)pentan-1-ol?
The IUPAC name of 5-(2-hydroxyethyldisulfanyl)pentan-1-ol (CID 54440905) is 5-(2-hydroxyethyldisulfanyl)pentan-1-ol.
What is the SMILES notation for 5-(2-hydroxyethyldisulfanyl)pentan-1-ol?
The canonical SMILES for 5-(2-hydroxyethyldisulfanyl)pentan-1-ol is OCCCCCSSCCO.
What is the InChIKey of 5-(2-hydroxyethyldisulfanyl)pentan-1-ol?
The InChIKey is WOADAXABXLKHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2S2/c8-4-2-1-3-6-10-11-7-5-9/h8-9H,1-7H2.
What are the key properties of 5-(2-hydroxyethyldisulfanyl)pentan-1-ol?
5-(2-hydroxyethyldisulfanyl)pentan-1-ol has a molecular weight of 196.34 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyldisulfanyl)pentan-1-ol is sourced from PubChem (CID 54440905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).