About (3-ethyloxetan-3-yl)methanone;yttrium
(3-ethyloxetan-3-yl)methanone;yttrium (PubChem CID 58672005) has the molecular formula C6H9O2Y-
and a molecular weight of 202.04 g/mol. Its IUPAC name is (3-ethyloxetan-3-yl)methanone;yttrium.
Molecular Properties
| Compound Name | (3-ethyloxetan-3-yl)methanone;yttrium |
|---|
| PubChem CID | 58672005 |
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| Molecular Formula | C6H9O2Y- |
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| Molecular Weight | 202.04 g/mol |
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| Exact Mass | 201.97 |
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| IUPAC Name | (3-ethyloxetan-3-yl)methanone;yttrium |
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| SMILES | CCC1([C-]=O)COC1.[Y] |
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| InChI | InChI=1S/C6H9O2.Y/c1-2-6(3-7)4-8-5-6;/h2,4-5H2,1H3;/q-1; |
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| InChIKey | WEWXOJTWPVORRX-UHFFFAOYSA-N |
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| XLogP | 0.52 |
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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 | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 202.04 |
| LogP ≤ 5 | 0.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (3-ethyloxetan-3-yl)methanone;yttrium?
The IUPAC name of (3-ethyloxetan-3-yl)methanone;yttrium (CID 58672005) is (3-ethyloxetan-3-yl)methanone;yttrium.
What is the SMILES notation for (3-ethyloxetan-3-yl)methanone;yttrium?
The canonical SMILES for (3-ethyloxetan-3-yl)methanone;yttrium is CCC1([C-]=O)COC1.[Y].
What is the InChIKey of (3-ethyloxetan-3-yl)methanone;yttrium?
The InChIKey is WEWXOJTWPVORRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O2.Y/c1-2-6(3-7)4-8-5-6;/h2,4-5H2,1H3;/q-1;.
What are the key properties of (3-ethyloxetan-3-yl)methanone;yttrium?
(3-ethyloxetan-3-yl)methanone;yttrium has a molecular weight of 202.04 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyloxetan-3-yl)methanone;yttrium is sourced from PubChem (CID 58672005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).