About 2-(2-ethylcyclohexyl)oxan-4-one
2-(2-ethylcyclohexyl)oxan-4-one (PubChem CID 130802708) has the molecular formula C13H22O2
and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)oxan-4-one.
Molecular Properties
| Compound Name | 2-(2-ethylcyclohexyl)oxan-4-one |
|---|
| PubChem CID | 130802708 |
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| Molecular Formula | C13H22O2 |
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| Molecular Weight | 210.32 g/mol |
|---|
| Exact Mass | 210.16 |
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| IUPAC Name | 2-(2-ethylcyclohexyl)oxan-4-one |
|---|
| SMILES | CCC1CCCCC1C1CC(=O)CCO1 |
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| InChI | InChI=1S/C13H22O2/c1-2-10-5-3-4-6-12(10)13-9-11(14)7-8-15-13/h10,12-13H,2-9H2,1H3 |
|---|
| InChIKey | GJWBVZJDSOZHJP-UHFFFAOYSA-N |
|---|
| XLogP | 2.95 |
|---|
| TPSA | 26.30 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 15 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 210.32 |
| LogP ≤ 5 | 2.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-(2-ethylcyclohexyl)oxan-4-one?
The IUPAC name of 2-(2-ethylcyclohexyl)oxan-4-one (CID 130802708) is 2-(2-ethylcyclohexyl)oxan-4-one.
What is the SMILES notation for 2-(2-ethylcyclohexyl)oxan-4-one?
The canonical SMILES for 2-(2-ethylcyclohexyl)oxan-4-one is CCC1CCCCC1C1CC(=O)CCO1.
What is the InChIKey of 2-(2-ethylcyclohexyl)oxan-4-one?
The InChIKey is GJWBVZJDSOZHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-10-5-3-4-6-12(10)13-9-11(14)7-8-15-13/h10,12-13H,2-9H2,1H3.
What are the key properties of 2-(2-ethylcyclohexyl)oxan-4-one?
2-(2-ethylcyclohexyl)oxan-4-one has a molecular weight of 210.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclohexyl)oxan-4-one is sourced from PubChem (CID 130802708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).