About 2-ethyl-3-(2-ethylphenoxy)-2-methylcyclobutan-1-one
2-ethyl-3-(2-ethylphenoxy)-2-methylcyclobutan-1-one (PubChem CID 66368471) has the molecular formula C15H20O2
and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-ethyl-3-(2-ethylphenoxy)-2-methylcyclobutan-1-one.
Molecular Properties
| Compound Name | 2-ethyl-3-(2-ethylphenoxy)-2-methylcyclobutan-1-one |
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| PubChem CID | 66368471 |
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| Molecular Formula | C15H20O2 |
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| Molecular Weight | 232.32 g/mol |
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| Exact Mass | 232.15 |
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| IUPAC Name | 2-ethyl-3-(2-ethylphenoxy)-2-methylcyclobutan-1-one |
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| SMILES | CCc1ccccc1OC1CC(=O)C1(C)CC |
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| InChI | InChI=1S/C15H20O2/c1-4-11-8-6-7-9-12(11)17-14-10-13(16)15(14,3)5-2/h6-9,14H,4-5,10H2,1-3H3 |
|---|
| InChIKey | GPBUZXCOGQKHEN-UHFFFAOYSA-N |
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| XLogP | 3.39 |
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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 | 4 |
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| Heavy Atoms | 17 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 232.32 |
| LogP ≤ 5 | 3.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-ethyl-3-(2-ethylphenoxy)-2-methylcyclobutan-1-one?
The IUPAC name of 2-ethyl-3-(2-ethylphenoxy)-2-methylcyclobutan-1-one (CID 66368471) is 2-ethyl-3-(2-ethylphenoxy)-2-methylcyclobutan-1-one.
What is the SMILES notation for 2-ethyl-3-(2-ethylphenoxy)-2-methylcyclobutan-1-one?
The canonical SMILES for 2-ethyl-3-(2-ethylphenoxy)-2-methylcyclobutan-1-one is CCc1ccccc1OC1CC(=O)C1(C)CC.
What is the InChIKey of 2-ethyl-3-(2-ethylphenoxy)-2-methylcyclobutan-1-one?
The InChIKey is GPBUZXCOGQKHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-4-11-8-6-7-9-12(11)17-14-10-13(16)15(14,3)5-2/h6-9,14H,4-5,10H2,1-3H3.
What are the key properties of 2-ethyl-3-(2-ethylphenoxy)-2-methylcyclobutan-1-one?
2-ethyl-3-(2-ethylphenoxy)-2-methylcyclobutan-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-ethylphenoxy)-2-methylcyclobutan-1-one is sourced from PubChem (CID 66368471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).