About 4-hydroxynon-5-en-2-one
4-hydroxynon-5-en-2-one (PubChem CID 71379683) has the molecular formula C9H16O2
and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-hydroxynon-5-en-2-one.
Molecular Properties
| Compound Name | 4-hydroxynon-5-en-2-one |
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| PubChem CID | 71379683 |
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| Molecular Formula | C9H16O2 |
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| Molecular Weight | 156.22 g/mol |
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| Exact Mass | 156.12 |
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| IUPAC Name | 4-hydroxynon-5-en-2-one |
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| SMILES | CCCC=CC(O)CC(C)=O |
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| InChI | InChI=1S/C9H16O2/c1-3-4-5-6-9(11)7-8(2)10/h5-6,9,11H,3-4,7H2,1-2H3 |
|---|
| InChIKey | NYIIVDZGANLZJC-UHFFFAOYSA-N |
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| XLogP | 1.68 |
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| TPSA | 37.30 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 5 |
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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 | 156.22 |
| LogP ≤ 5 | 1.68 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-hydroxynon-5-en-2-one?
The IUPAC name of 4-hydroxynon-5-en-2-one (CID 71379683) is 4-hydroxynon-5-en-2-one.
What is the SMILES notation for 4-hydroxynon-5-en-2-one?
The canonical SMILES for 4-hydroxynon-5-en-2-one is CCCC=CC(O)CC(C)=O.
What is the InChIKey of 4-hydroxynon-5-en-2-one?
The InChIKey is NYIIVDZGANLZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-5-6-9(11)7-8(2)10/h5-6,9,11H,3-4,7H2,1-2H3.
What are the key properties of 4-hydroxynon-5-en-2-one?
4-hydroxynon-5-en-2-one has a molecular weight of 156.22 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxynon-5-en-2-one is sourced from PubChem (CID 71379683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).