About [(E)-but-2-en-2-yl]-trimethylphosphanium
[(E)-but-2-en-2-yl]-trimethylphosphanium (PubChem CID 164669824) has the molecular formula C7H16P+
and a molecular weight of 131.18 g/mol. Its IUPAC name is [(E)-but-2-en-2-yl]-trimethylphosphanium.
Molecular Properties
| Compound Name | [(E)-but-2-en-2-yl]-trimethylphosphanium |
|---|
| PubChem CID | 164669824 |
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| Molecular Formula | C7H16P+ |
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| Molecular Weight | 131.18 g/mol |
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| Exact Mass | 131.10 |
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| IUPAC Name | [(E)-but-2-en-2-yl]-trimethylphosphanium |
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| SMILES | C/C=C(\C)[P+](C)(C)C |
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| InChI | InChI=1S/C7H16P/c1-6-7(2)8(3,4)5/h6H,1-5H3/q+1/b7-6+ |
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| InChIKey | DJNFWLDMAMLUGW-VOTSOKGWSA-N |
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| XLogP | 2.82 |
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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 | 1 |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 131.18 |
| LogP ≤ 5 | 2.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(E)-but-2-en-2-yl]-trimethylphosphanium?
The IUPAC name of [(E)-but-2-en-2-yl]-trimethylphosphanium (CID 164669824) is [(E)-but-2-en-2-yl]-trimethylphosphanium.
What is the SMILES notation for [(E)-but-2-en-2-yl]-trimethylphosphanium?
The canonical SMILES for [(E)-but-2-en-2-yl]-trimethylphosphanium is C/C=C(\C)[P+](C)(C)C.
What is the InChIKey of [(E)-but-2-en-2-yl]-trimethylphosphanium?
The InChIKey is DJNFWLDMAMLUGW-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H16P/c1-6-7(2)8(3,4)5/h6H,1-5H3/q+1/b7-6+.
What are the key properties of [(E)-but-2-en-2-yl]-trimethylphosphanium?
[(E)-but-2-en-2-yl]-trimethylphosphanium has a molecular weight of 131.18 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-en-2-yl]-trimethylphosphanium is sourced from PubChem (CID 164669824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).