About 6,6-dimethyl-5-methylidenehept-1-en-3-yne
6,6-dimethyl-5-methylidenehept-1-en-3-yne (PubChem CID 21450649) has the molecular formula C10H14
and a molecular weight of 134.22 g/mol. Its IUPAC name is 6,6-dimethyl-5-methylidenehept-1-en-3-yne.
Molecular Properties
| Compound Name | 6,6-dimethyl-5-methylidenehept-1-en-3-yne |
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| PubChem CID | 21450649 |
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| Molecular Formula | C10H14 |
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| Molecular Weight | 134.22 g/mol |
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| Exact Mass | 134.11 |
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| IUPAC Name | 6,6-dimethyl-5-methylidenehept-1-en-3-yne |
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| SMILES | C=CC#CC(=C)C(C)(C)C |
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| InChI | InChI=1S/C10H14/c1-6-7-8-9(2)10(3,4)5/h6H,1-2H2,3-5H3 |
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| InChIKey | GEPIMRVAXFGJGA-UHFFFAOYSA-N |
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| XLogP | 2.78 |
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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 | |
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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 |
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| MW ≤ 500 | 134.22 |
| LogP ≤ 5 | 2.78 |
| 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 6,6-dimethyl-5-methylidenehept-1-en-3-yne?
The IUPAC name of 6,6-dimethyl-5-methylidenehept-1-en-3-yne (CID 21450649) is 6,6-dimethyl-5-methylidenehept-1-en-3-yne.
What is the SMILES notation for 6,6-dimethyl-5-methylidenehept-1-en-3-yne?
The canonical SMILES for 6,6-dimethyl-5-methylidenehept-1-en-3-yne is C=CC#CC(=C)C(C)(C)C.
What is the InChIKey of 6,6-dimethyl-5-methylidenehept-1-en-3-yne?
The InChIKey is GEPIMRVAXFGJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-6-7-8-9(2)10(3,4)5/h6H,1-2H2,3-5H3.
What are the key properties of 6,6-dimethyl-5-methylidenehept-1-en-3-yne?
6,6-dimethyl-5-methylidenehept-1-en-3-yne has a molecular weight of 134.22 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-5-methylidenehept-1-en-3-yne is sourced from PubChem (CID 21450649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).