About [(1E)-buta-1,3-dienoxy]-tert-butyl-dimethylsilane
[(1E)-buta-1,3-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 10910228) has the molecular formula C10H20OSi
and a molecular weight of 184.35 g/mol. Its IUPAC name is [(1E)-buta-1,3-dienoxy]-tert-butyl-dimethylsilane.
Molecular Properties
| Compound Name | [(1E)-buta-1,3-dienoxy]-tert-butyl-dimethylsilane |
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| PubChem CID | 10910228 |
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| Molecular Formula | C10H20OSi |
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| Molecular Weight | 184.35 g/mol |
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| Exact Mass | 184.13 |
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| IUPAC Name | [(1E)-buta-1,3-dienoxy]-tert-butyl-dimethylsilane |
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| SMILES | C=C/C=C/O[Si](C)(C)C(C)(C)C |
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| InChI | InChI=1S/C10H20OSi/c1-7-8-9-11-12(5,6)10(2,3)4/h7-9H,1H2,2-6H3/b9-8+ |
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| InChIKey | FOVNQHKJPKSUOU-CMDGGOBGSA-N |
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| XLogP | 3.71 |
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| TPSA | 9.23 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 12 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 184.35 |
| LogP ≤ 5 | 3.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(1E)-buta-1,3-dienoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(1E)-buta-1,3-dienoxy]-tert-butyl-dimethylsilane (CID 10910228) is [(1E)-buta-1,3-dienoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1E)-buta-1,3-dienoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(1E)-buta-1,3-dienoxy]-tert-butyl-dimethylsilane is C=C/C=C/O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1E)-buta-1,3-dienoxy]-tert-butyl-dimethylsilane?
The InChIKey is FOVNQHKJPKSUOU-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H20OSi/c1-7-8-9-11-12(5,6)10(2,3)4/h7-9H,1H2,2-6H3/b9-8+.
What are the key properties of [(1E)-buta-1,3-dienoxy]-tert-butyl-dimethylsilane?
[(1E)-buta-1,3-dienoxy]-tert-butyl-dimethylsilane has a molecular weight of 184.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-buta-1,3-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10910228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).