About copper;3,5,5-trimethylcyclohex-2-en-1-one
copper;3,5,5-trimethylcyclohex-2-en-1-one (PubChem CID 159197874) has the molecular formula C9H14CuO
and a molecular weight of 201.76 g/mol. Its IUPAC name is copper;3,5,5-trimethylcyclohex-2-en-1-one.
Molecular Properties
| Compound Name | copper;3,5,5-trimethylcyclohex-2-en-1-one |
|---|
| PubChem CID | 159197874 |
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| Molecular Formula | C9H14CuO |
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| Molecular Weight | 201.76 g/mol |
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| Exact Mass | 201.03 |
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| IUPAC Name | copper;3,5,5-trimethylcyclohex-2-en-1-one |
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| SMILES | CC1=CC(=O)CC(C)(C)C1.[Cu] |
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| InChI | InChI=1S/C9H14O.Cu/c1-7-4-8(10)6-9(2,3)5-7;/h4H,5-6H2,1-3H3; |
|---|
| InChIKey | KOWYJIHOSQLDQA-UHFFFAOYSA-N |
|---|
| XLogP | 2.32 |
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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 | |
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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 | 201.76 |
| LogP ≤ 5 | 2.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of copper;3,5,5-trimethylcyclohex-2-en-1-one?
The IUPAC name of copper;3,5,5-trimethylcyclohex-2-en-1-one (CID 159197874) is copper;3,5,5-trimethylcyclohex-2-en-1-one.
What is the SMILES notation for copper;3,5,5-trimethylcyclohex-2-en-1-one?
The canonical SMILES for copper;3,5,5-trimethylcyclohex-2-en-1-one is CC1=CC(=O)CC(C)(C)C1.[Cu].
What is the InChIKey of copper;3,5,5-trimethylcyclohex-2-en-1-one?
The InChIKey is KOWYJIHOSQLDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O.Cu/c1-7-4-8(10)6-9(2,3)5-7;/h4H,5-6H2,1-3H3;.
What are the key properties of copper;3,5,5-trimethylcyclohex-2-en-1-one?
copper;3,5,5-trimethylcyclohex-2-en-1-one has a molecular weight of 201.76 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper;3,5,5-trimethylcyclohex-2-en-1-one is sourced from PubChem (CID 159197874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).