About 6-pent-4-enoxyhexan-2-one
6-pent-4-enoxyhexan-2-one (PubChem CID 79113255) has the molecular formula C11H20O2
and a molecular weight of 184.28 g/mol. Its IUPAC name is 6-pent-4-enoxyhexan-2-one.
Molecular Properties
| Compound Name | 6-pent-4-enoxyhexan-2-one |
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| PubChem CID | 79113255 |
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| Molecular Formula | C11H20O2 |
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| Molecular Weight | 184.28 g/mol |
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| Exact Mass | 184.15 |
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| IUPAC Name | 6-pent-4-enoxyhexan-2-one |
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| SMILES | C=CCCCOCCCCC(C)=O |
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| InChI | InChI=1S/C11H20O2/c1-3-4-6-9-13-10-7-5-8-11(2)12/h3H,1,4-10H2,2H3 |
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| InChIKey | SWNARSQQZQAFHB-UHFFFAOYSA-N |
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| XLogP | 2.73 |
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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 | 9 |
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| Heavy Atoms | 13 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 184.28 |
| LogP ≤ 5 | 2.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-pent-4-enoxyhexan-2-one?
The IUPAC name of 6-pent-4-enoxyhexan-2-one (CID 79113255) is 6-pent-4-enoxyhexan-2-one.
What is the SMILES notation for 6-pent-4-enoxyhexan-2-one?
The canonical SMILES for 6-pent-4-enoxyhexan-2-one is C=CCCCOCCCCC(C)=O.
What is the InChIKey of 6-pent-4-enoxyhexan-2-one?
The InChIKey is SWNARSQQZQAFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-6-9-13-10-7-5-8-11(2)12/h3H,1,4-10H2,2H3.
What are the key properties of 6-pent-4-enoxyhexan-2-one?
6-pent-4-enoxyhexan-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pent-4-enoxyhexan-2-one is sourced from PubChem (CID 79113255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).