About 6-methyloct-1-en-7-yne
6-methyloct-1-en-7-yne (PubChem CID 10374479) has the molecular formula C9H14
and a molecular weight of 122.21 g/mol. Its IUPAC name is 6-methyloct-1-en-7-yne.
Molecular Properties
| Compound Name | 6-methyloct-1-en-7-yne |
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| PubChem CID | 10374479 |
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| Molecular Formula | C9H14 |
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| Molecular Weight | 122.21 g/mol |
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| Exact Mass | 122.11 |
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| IUPAC Name | 6-methyloct-1-en-7-yne |
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| SMILES | C#CC(C)CCCC=C |
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| InChI | InChI=1S/C9H14/c1-4-6-7-8-9(3)5-2/h2,4,9H,1,6-8H2,3H3 |
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| InChIKey | UUWHZEYJCRHLBY-UHFFFAOYSA-N |
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| XLogP | 2.61 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 4 |
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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 | 122.21 |
| LogP ≤ 5 | 2.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-methyloct-1-en-7-yne?
The IUPAC name of 6-methyloct-1-en-7-yne (CID 10374479) is 6-methyloct-1-en-7-yne.
What is the SMILES notation for 6-methyloct-1-en-7-yne?
The canonical SMILES for 6-methyloct-1-en-7-yne is C#CC(C)CCCC=C.
What is the InChIKey of 6-methyloct-1-en-7-yne?
The InChIKey is UUWHZEYJCRHLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-4-6-7-8-9(3)5-2/h2,4,9H,1,6-8H2,3H3.
What are the key properties of 6-methyloct-1-en-7-yne?
6-methyloct-1-en-7-yne has a molecular weight of 122.21 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyloct-1-en-7-yne is sourced from PubChem (CID 10374479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).