About (E)-1-trimethylsilylhex-1-en-3-one
(E)-1-trimethylsilylhex-1-en-3-one (PubChem CID 12868955) has the molecular formula C9H18OSi
and a molecular weight of 170.33 g/mol. Its IUPAC name is (E)-1-trimethylsilylhex-1-en-3-one.
Molecular Properties
| Compound Name | (E)-1-trimethylsilylhex-1-en-3-one |
|---|
| PubChem CID | 12868955 |
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| Molecular Formula | C9H18OSi |
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| Molecular Weight | 170.33 g/mol |
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| Exact Mass | 170.11 |
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| IUPAC Name | (E)-1-trimethylsilylhex-1-en-3-one |
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| SMILES | CCCC(=O)/C=C/[Si](C)(C)C |
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| InChI | InChI=1S/C9H18OSi/c1-5-6-9(10)7-8-11(2,3)4/h7-8H,5-6H2,1-4H3/b8-7+ |
|---|
| InChIKey | JEPPFCHYNNLFEW-BQYQJAHWSA-N |
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| XLogP | 2.79 |
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| TPSA | 17.07 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 170.33 |
| LogP ≤ 5 | 2.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (E)-1-trimethylsilylhex-1-en-3-one?
The IUPAC name of (E)-1-trimethylsilylhex-1-en-3-one (CID 12868955) is (E)-1-trimethylsilylhex-1-en-3-one.
What is the SMILES notation for (E)-1-trimethylsilylhex-1-en-3-one?
The canonical SMILES for (E)-1-trimethylsilylhex-1-en-3-one is CCCC(=O)/C=C/[Si](C)(C)C.
What is the InChIKey of (E)-1-trimethylsilylhex-1-en-3-one?
The InChIKey is JEPPFCHYNNLFEW-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H18OSi/c1-5-6-9(10)7-8-11(2,3)4/h7-8H,5-6H2,1-4H3/b8-7+.
What are the key properties of (E)-1-trimethylsilylhex-1-en-3-one?
(E)-1-trimethylsilylhex-1-en-3-one has a molecular weight of 170.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-trimethylsilylhex-1-en-3-one is sourced from PubChem (CID 12868955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).