About bis(2,4-dichlorobutoxy)-oxophosphanium
bis(2,4-dichlorobutoxy)-oxophosphanium (PubChem CID 56998609) has the molecular formula C8H14Cl4O3P+
and a molecular weight of 330.98 g/mol. Its IUPAC name is bis(2,4-dichlorobutoxy)-oxophosphanium.
Molecular Properties
| Compound Name | bis(2,4-dichlorobutoxy)-oxophosphanium |
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| PubChem CID | 56998609 |
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| Molecular Formula | C8H14Cl4O3P+ |
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| Molecular Weight | 330.98 g/mol |
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| Exact Mass | 328.94 |
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| IUPAC Name | bis(2,4-dichlorobutoxy)-oxophosphanium |
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| SMILES | O=[P+](OCC(Cl)CCCl)OCC(Cl)CCCl |
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| InChI | InChI=1S/C8H14Cl4O3P/c9-3-1-7(11)5-14-16(13)15-6-8(12)2-4-10/h7-8H,1-6H2/q+1 |
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| InChIKey | BZDBUCVMWBROLV-UHFFFAOYSA-N |
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| XLogP | 4.15 |
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| TPSA | 35.53 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 16 |
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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 | 330.98 |
| LogP ≤ 5 | 4.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bis(2,4-dichlorobutoxy)-oxophosphanium?
The IUPAC name of bis(2,4-dichlorobutoxy)-oxophosphanium (CID 56998609) is bis(2,4-dichlorobutoxy)-oxophosphanium.
What is the SMILES notation for bis(2,4-dichlorobutoxy)-oxophosphanium?
The canonical SMILES for bis(2,4-dichlorobutoxy)-oxophosphanium is O=[P+](OCC(Cl)CCCl)OCC(Cl)CCCl.
What is the InChIKey of bis(2,4-dichlorobutoxy)-oxophosphanium?
The InChIKey is BZDBUCVMWBROLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl4O3P/c9-3-1-7(11)5-14-16(13)15-6-8(12)2-4-10/h7-8H,1-6H2/q+1.
What are the key properties of bis(2,4-dichlorobutoxy)-oxophosphanium?
bis(2,4-dichlorobutoxy)-oxophosphanium has a molecular weight of 330.98 g/mol, XLogP of 4.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dichlorobutoxy)-oxophosphanium is sourced from PubChem (CID 56998609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).