About 3-trimethylsilyloxycyclohex-2-en-1-one
3-trimethylsilyloxycyclohex-2-en-1-one (PubChem CID 12540647) has the molecular formula C9H16O2Si
and a molecular weight of 184.31 g/mol. Its IUPAC name is 3-trimethylsilyloxycyclohex-2-en-1-one.
Molecular Properties
| Compound Name | 3-trimethylsilyloxycyclohex-2-en-1-one |
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| PubChem CID | 12540647 |
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| Molecular Formula | C9H16O2Si |
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| Molecular Weight | 184.31 g/mol |
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| Exact Mass | 184.09 |
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| IUPAC Name | 3-trimethylsilyloxycyclohex-2-en-1-one |
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| SMILES | C[Si](C)(C)OC1=CC(=O)CCC1 |
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| InChI | InChI=1S/C9H16O2Si/c1-12(2,3)11-9-6-4-5-8(10)7-9/h7H,4-6H2,1-3H3 |
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| InChIKey | HOUIVOGXYZMKES-UHFFFAOYSA-N |
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| XLogP | 2.47 |
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| TPSA | 26.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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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 | 184.31 |
| LogP ≤ 5 | 2.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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 3-trimethylsilyloxycyclohex-2-en-1-one?
The IUPAC name of 3-trimethylsilyloxycyclohex-2-en-1-one (CID 12540647) is 3-trimethylsilyloxycyclohex-2-en-1-one.
What is the SMILES notation for 3-trimethylsilyloxycyclohex-2-en-1-one?
The canonical SMILES for 3-trimethylsilyloxycyclohex-2-en-1-one is C[Si](C)(C)OC1=CC(=O)CCC1.
What is the InChIKey of 3-trimethylsilyloxycyclohex-2-en-1-one?
The InChIKey is HOUIVOGXYZMKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-12(2,3)11-9-6-4-5-8(10)7-9/h7H,4-6H2,1-3H3.
What are the key properties of 3-trimethylsilyloxycyclohex-2-en-1-one?
3-trimethylsilyloxycyclohex-2-en-1-one has a molecular weight of 184.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyloxycyclohex-2-en-1-one is sourced from PubChem (CID 12540647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).