About [(E)-4-iodobut-2-en-2-yl]-trimethylsilane
[(E)-4-iodobut-2-en-2-yl]-trimethylsilane (PubChem CID 13213671) has the molecular formula C7H15ISi
and a molecular weight of 254.19 g/mol. Its IUPAC name is [(E)-4-iodobut-2-en-2-yl]-trimethylsilane.
Molecular Properties
| Compound Name | [(E)-4-iodobut-2-en-2-yl]-trimethylsilane |
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| PubChem CID | 13213671 |
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| Molecular Formula | C7H15ISi |
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| Molecular Weight | 254.19 g/mol |
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| Exact Mass | 254.00 |
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| IUPAC Name | [(E)-4-iodobut-2-en-2-yl]-trimethylsilane |
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| SMILES | C/C(=C\CI)[Si](C)(C)C |
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| InChI | InChI=1S/C7H15ISi/c1-7(5-6-8)9(2,3)4/h5H,6H2,1-4H3/b7-5+ |
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| InChIKey | NWNYZMZBMPWCQQ-FNORWQNLSA-N |
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| XLogP | 3.25 |
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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 | 2 |
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| Heavy Atoms | 9 |
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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 | 254.19 |
| LogP ≤ 5 | 3.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(E)-4-iodobut-2-en-2-yl]-trimethylsilane?
The IUPAC name of [(E)-4-iodobut-2-en-2-yl]-trimethylsilane (CID 13213671) is [(E)-4-iodobut-2-en-2-yl]-trimethylsilane.
What is the SMILES notation for [(E)-4-iodobut-2-en-2-yl]-trimethylsilane?
The canonical SMILES for [(E)-4-iodobut-2-en-2-yl]-trimethylsilane is C/C(=C\CI)[Si](C)(C)C.
What is the InChIKey of [(E)-4-iodobut-2-en-2-yl]-trimethylsilane?
The InChIKey is NWNYZMZBMPWCQQ-FNORWQNLSA-N. The full InChI is InChI=1S/C7H15ISi/c1-7(5-6-8)9(2,3)4/h5H,6H2,1-4H3/b7-5+.
What are the key properties of [(E)-4-iodobut-2-en-2-yl]-trimethylsilane?
[(E)-4-iodobut-2-en-2-yl]-trimethylsilane has a molecular weight of 254.19 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-iodobut-2-en-2-yl]-trimethylsilane is sourced from PubChem (CID 13213671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).