About hexa-2,4-diyne-1,6-diol;methane
hexa-2,4-diyne-1,6-diol;methane (PubChem CID 159269770) has the molecular formula C7H10O2
and a molecular weight of 126.15 g/mol. Its IUPAC name is hexa-2,4-diyne-1,6-diol;methane.
Molecular Properties
| Compound Name | hexa-2,4-diyne-1,6-diol;methane |
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| PubChem CID | 159269770 |
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| Molecular Formula | C7H10O2 |
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| Molecular Weight | 126.15 g/mol |
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| Exact Mass | 126.07 |
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| IUPAC Name | hexa-2,4-diyne-1,6-diol;methane |
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| SMILES | C.OCC#CC#CCO |
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| InChI | InChI=1S/C6H6O2.CH4/c7-5-3-1-2-4-6-8;/h7-8H,5-6H2;1H4 |
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| InChIKey | KXOCAFYBWCRYLX-UHFFFAOYSA-N |
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| XLogP | -0.39 |
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| TPSA | 40.46 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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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 |
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| MW ≤ 500 | 126.15 |
| LogP ≤ 5 | -0.39 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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 hexa-2,4-diyne-1,6-diol;methane?
The IUPAC name of hexa-2,4-diyne-1,6-diol;methane (CID 159269770) is hexa-2,4-diyne-1,6-diol;methane.
What is the SMILES notation for hexa-2,4-diyne-1,6-diol;methane?
The canonical SMILES for hexa-2,4-diyne-1,6-diol;methane is C.OCC#CC#CCO.
What is the InChIKey of hexa-2,4-diyne-1,6-diol;methane?
The InChIKey is KXOCAFYBWCRYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.CH4/c7-5-3-1-2-4-6-8;/h7-8H,5-6H2;1H4.
What are the key properties of hexa-2,4-diyne-1,6-diol;methane?
hexa-2,4-diyne-1,6-diol;methane has a molecular weight of 126.15 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-2,4-diyne-1,6-diol;methane is sourced from PubChem (CID 159269770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).