About 8-methylnon-1-en-1-one
8-methylnon-1-en-1-one (PubChem CID 54454454) has the molecular formula C10H18O
and a molecular weight of 154.25 g/mol. Its IUPAC name is 8-methylnon-1-en-1-one.
Molecular Properties
| Compound Name | 8-methylnon-1-en-1-one |
|---|
| PubChem CID | 54454454 |
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| Molecular Formula | C10H18O |
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| Molecular Weight | 154.25 g/mol |
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| Exact Mass | 154.14 |
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| IUPAC Name | 8-methylnon-1-en-1-one |
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| SMILES | CC(C)CCCCCC=C=O |
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| InChI | InChI=1S/C10H18O/c1-10(2)8-6-4-3-5-7-9-11/h7,10H,3-6,8H2,1-2H3 |
|---|
| InChIKey | WXEMIWCKYBUHKK-UHFFFAOYSA-N |
|---|
| XLogP | 2.98 |
|---|
| TPSA | 17.07 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 6 |
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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 | 154.25 |
| LogP ≤ 5 | 2.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 8-methylnon-1-en-1-one?
The IUPAC name of 8-methylnon-1-en-1-one (CID 54454454) is 8-methylnon-1-en-1-one.
What is the SMILES notation for 8-methylnon-1-en-1-one?
The canonical SMILES for 8-methylnon-1-en-1-one is CC(C)CCCCCC=C=O.
What is the InChIKey of 8-methylnon-1-en-1-one?
The InChIKey is WXEMIWCKYBUHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-10(2)8-6-4-3-5-7-9-11/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 8-methylnon-1-en-1-one?
8-methylnon-1-en-1-one has a molecular weight of 154.25 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnon-1-en-1-one is sourced from PubChem (CID 54454454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).