About [(E)-1-bromo-2-ethylhex-1-enyl]-trimethylsilane
[(E)-1-bromo-2-ethylhex-1-enyl]-trimethylsilane (PubChem CID 13240643) has the molecular formula C11H23BrSi
and a molecular weight of 263.29 g/mol. Its IUPAC name is [(E)-1-bromo-2-ethylhex-1-enyl]-trimethylsilane.
Molecular Properties
| Compound Name | [(E)-1-bromo-2-ethylhex-1-enyl]-trimethylsilane |
|---|
| PubChem CID | 13240643 |
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| Molecular Formula | C11H23BrSi |
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| Molecular Weight | 263.29 g/mol |
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| Exact Mass | 262.08 |
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| IUPAC Name | [(E)-1-bromo-2-ethylhex-1-enyl]-trimethylsilane |
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| SMILES | CCCC/C(CC)=C(/Br)[Si](C)(C)C |
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| InChI | InChI=1S/C11H23BrSi/c1-6-8-9-10(7-2)11(12)13(3,4)5/h6-9H2,1-5H3/b11-10- |
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| InChIKey | BNDXWVSOINZUGO-KHPPLWFESA-N |
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| XLogP | 5.11 |
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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 | 5 |
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| Heavy Atoms | 13 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 263.29 |
| LogP ≤ 5 | 5.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(E)-1-bromo-2-ethylhex-1-enyl]-trimethylsilane?
The IUPAC name of [(E)-1-bromo-2-ethylhex-1-enyl]-trimethylsilane (CID 13240643) is [(E)-1-bromo-2-ethylhex-1-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-1-bromo-2-ethylhex-1-enyl]-trimethylsilane?
The canonical SMILES for [(E)-1-bromo-2-ethylhex-1-enyl]-trimethylsilane is CCCC/C(CC)=C(/Br)[Si](C)(C)C.
What is the InChIKey of [(E)-1-bromo-2-ethylhex-1-enyl]-trimethylsilane?
The InChIKey is BNDXWVSOINZUGO-KHPPLWFESA-N. The full InChI is InChI=1S/C11H23BrSi/c1-6-8-9-10(7-2)11(12)13(3,4)5/h6-9H2,1-5H3/b11-10-.
What are the key properties of [(E)-1-bromo-2-ethylhex-1-enyl]-trimethylsilane?
[(E)-1-bromo-2-ethylhex-1-enyl]-trimethylsilane has a molecular weight of 263.29 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-bromo-2-ethylhex-1-enyl]-trimethylsilane is sourced from PubChem (CID 13240643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).