About [(Z)-hex-3-enyl]-triphenylphosphanium
[(Z)-hex-3-enyl]-triphenylphosphanium (PubChem CID 10993587) has the molecular formula C24H26P+
and a molecular weight of 345.45 g/mol. Its IUPAC name is [(Z)-hex-3-enyl]-triphenylphosphanium.
Molecular Properties
| Compound Name | [(Z)-hex-3-enyl]-triphenylphosphanium |
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| PubChem CID | 10993587 |
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| Molecular Formula | C24H26P+ |
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| Molecular Weight | 345.45 g/mol |
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| Exact Mass | 345.18 |
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| IUPAC Name | [(Z)-hex-3-enyl]-triphenylphosphanium |
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| SMILES | CC/C=C\CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 |
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| InChI | InChI=1S/C24H26P/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h3-13,15-20H,2,14,21H2,1H3/q+1/b4-3- |
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| InChIKey | QWQFSGFGNKWNEN-ARJAWSKDSA-N |
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| XLogP | 5.34 |
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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 | 7 |
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| Heavy Atoms | 25 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 345.45 |
| LogP ≤ 5 | 5.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(Z)-hex-3-enyl]-triphenylphosphanium?
The IUPAC name of [(Z)-hex-3-enyl]-triphenylphosphanium (CID 10993587) is [(Z)-hex-3-enyl]-triphenylphosphanium.
What is the SMILES notation for [(Z)-hex-3-enyl]-triphenylphosphanium?
The canonical SMILES for [(Z)-hex-3-enyl]-triphenylphosphanium is CC/C=C\CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-hex-3-enyl]-triphenylphosphanium?
The InChIKey is QWQFSGFGNKWNEN-ARJAWSKDSA-N. The full InChI is InChI=1S/C24H26P/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h3-13,15-20H,2,14,21H2,1H3/q+1/b4-3-.
What are the key properties of [(Z)-hex-3-enyl]-triphenylphosphanium?
[(Z)-hex-3-enyl]-triphenylphosphanium has a molecular weight of 345.45 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-3-enyl]-triphenylphosphanium is sourced from PubChem (CID 10993587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).