About trihexyl(tetradecyl)phosphanium chloride
trihexyl(tetradecyl)phosphanium chloride (PubChem CID 11375816) has the molecular formula C32H68ClP
and a molecular weight of 519.32 g/mol. Its IUPAC name is trihexyl(tetradecyl)phosphanium chloride.
Molecular Properties
| Compound Name | trihexyl(tetradecyl)phosphanium chloride |
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| PubChem CID | 11375816 |
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| Molecular Formula | C32H68ClP |
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| Molecular Weight | 519.32 g/mol |
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| Exact Mass | 518.47 |
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| IUPAC Name | trihexyl(tetradecyl)phosphanium chloride |
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| SMILES | CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.[Cl-] |
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| InChI | InChI=1S/C32H68P.ClH/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1 |
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| InChIKey | JCQGIZYNVAZYOH-UHFFFAOYSA-M |
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| XLogP | 9.45 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 28 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 519.32 |
| LogP ≤ 5 | 9.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of trihexyl(tetradecyl)phosphanium chloride?
The IUPAC name of trihexyl(tetradecyl)phosphanium chloride (CID 11375816) is trihexyl(tetradecyl)phosphanium chloride.
What is the SMILES notation for trihexyl(tetradecyl)phosphanium chloride?
The canonical SMILES for trihexyl(tetradecyl)phosphanium chloride is CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.[Cl-].
What is the InChIKey of trihexyl(tetradecyl)phosphanium chloride?
The InChIKey is JCQGIZYNVAZYOH-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H68P.ClH/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trihexyl(tetradecyl)phosphanium chloride?
trihexyl(tetradecyl)phosphanium chloride has a molecular weight of 519.32 g/mol, XLogP of 9.45, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trihexyl(tetradecyl)phosphanium chloride is sourced from PubChem (CID 11375816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).