About [(E)-but-1-en-3-ynyl]-trimethylsilane
[(E)-but-1-en-3-ynyl]-trimethylsilane (PubChem CID 11182608) has the molecular formula C7H12Si
and a molecular weight of 124.26 g/mol. Its IUPAC name is [(E)-but-1-en-3-ynyl]-trimethylsilane.
Molecular Properties
| Compound Name | [(E)-but-1-en-3-ynyl]-trimethylsilane |
|---|
| PubChem CID | 11182608 |
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| Molecular Formula | C7H12Si |
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| Molecular Weight | 124.26 g/mol |
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| Exact Mass | 124.07 |
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| IUPAC Name | [(E)-but-1-en-3-ynyl]-trimethylsilane |
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| SMILES | C#C/C=C/[Si](C)(C)C |
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| InChI | InChI=1S/C7H12Si/c1-5-6-7-8(2,3)4/h1,6-7H,2-4H3/b7-6+ |
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| InChIKey | XXLAXPJLTWYUOO-VOTSOKGWSA-N |
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| XLogP | 2.05 |
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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 | 124.26 |
| LogP ≤ 5 | 2.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(E)-but-1-en-3-ynyl]-trimethylsilane?
The IUPAC name of [(E)-but-1-en-3-ynyl]-trimethylsilane (CID 11182608) is [(E)-but-1-en-3-ynyl]-trimethylsilane.
What is the SMILES notation for [(E)-but-1-en-3-ynyl]-trimethylsilane?
The canonical SMILES for [(E)-but-1-en-3-ynyl]-trimethylsilane is C#C/C=C/[Si](C)(C)C.
What is the InChIKey of [(E)-but-1-en-3-ynyl]-trimethylsilane?
The InChIKey is XXLAXPJLTWYUOO-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H12Si/c1-5-6-7-8(2,3)4/h1,6-7H,2-4H3/b7-6+.
What are the key properties of [(E)-but-1-en-3-ynyl]-trimethylsilane?
[(E)-but-1-en-3-ynyl]-trimethylsilane has a molecular weight of 124.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-1-en-3-ynyl]-trimethylsilane is sourced from PubChem (CID 11182608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).