About 1-trimethylsilyloctan-1-one
1-trimethylsilyloctan-1-one (PubChem CID 11117077) has the molecular formula C11H24OSi
and a molecular weight of 200.40 g/mol. Its IUPAC name is 1-trimethylsilyloctan-1-one.
Molecular Properties
| Compound Name | 1-trimethylsilyloctan-1-one |
|---|
| PubChem CID | 11117077 |
|---|
| Molecular Formula | C11H24OSi |
|---|
| Molecular Weight | 200.40 g/mol |
|---|
| Exact Mass | 200.16 |
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| IUPAC Name | 1-trimethylsilyloctan-1-one |
|---|
| SMILES | CCCCCCCC(=O)[Si](C)(C)C |
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| InChI | InChI=1S/C11H24OSi/c1-5-6-7-8-9-10-11(12)13(2,3)4/h5-10H2,1-4H3 |
|---|
| InChIKey | SCZJLSOVELJOMG-UHFFFAOYSA-N |
|---|
| XLogP | 3.79 |
|---|
| TPSA | 17.07 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 13 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 200.40 |
| LogP ≤ 5 | 3.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of 1-trimethylsilyloctan-1-one?
The IUPAC name of 1-trimethylsilyloctan-1-one (CID 11117077) is 1-trimethylsilyloctan-1-one.
What is the SMILES notation for 1-trimethylsilyloctan-1-one?
The canonical SMILES for 1-trimethylsilyloctan-1-one is CCCCCCCC(=O)[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilyloctan-1-one?
The InChIKey is SCZJLSOVELJOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24OSi/c1-5-6-7-8-9-10-11(12)13(2,3)4/h5-10H2,1-4H3.
What are the key properties of 1-trimethylsilyloctan-1-one?
1-trimethylsilyloctan-1-one has a molecular weight of 200.40 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyloctan-1-one is sourced from PubChem (CID 11117077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).