About 2,6-dimethyl-5-methylidenehept-3-yne
2,6-dimethyl-5-methylidenehept-3-yne (PubChem CID 10855515) has the molecular formula C10H16
and a molecular weight of 136.24 g/mol. Its IUPAC name is 2,6-dimethyl-5-methylidenehept-3-yne.
Molecular Properties
| Compound Name | 2,6-dimethyl-5-methylidenehept-3-yne |
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| PubChem CID | 10855515 |
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| Molecular Formula | C10H16 |
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| Molecular Weight | 136.24 g/mol |
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| Exact Mass | 136.13 |
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| IUPAC Name | 2,6-dimethyl-5-methylidenehept-3-yne |
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| SMILES | C=C(C#CC(C)C)C(C)C |
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| InChI | InChI=1S/C10H16/c1-8(2)6-7-10(5)9(3)4/h8-9H,5H2,1-4H3 |
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| InChIKey | XCGPLKMNQQEPIR-UHFFFAOYSA-N |
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| XLogP | 2.86 |
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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 | 1 |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 136.24 |
| LogP ≤ 5 | 2.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2,6-dimethyl-5-methylidenehept-3-yne?
The IUPAC name of 2,6-dimethyl-5-methylidenehept-3-yne (CID 10855515) is 2,6-dimethyl-5-methylidenehept-3-yne.
What is the SMILES notation for 2,6-dimethyl-5-methylidenehept-3-yne?
The canonical SMILES for 2,6-dimethyl-5-methylidenehept-3-yne is C=C(C#CC(C)C)C(C)C.
What is the InChIKey of 2,6-dimethyl-5-methylidenehept-3-yne?
The InChIKey is XCGPLKMNQQEPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-8(2)6-7-10(5)9(3)4/h8-9H,5H2,1-4H3.
What are the key properties of 2,6-dimethyl-5-methylidenehept-3-yne?
2,6-dimethyl-5-methylidenehept-3-yne has a molecular weight of 136.24 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-methylidenehept-3-yne is sourced from PubChem (CID 10855515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).