About magnesium;8-bromooct-1-yne;chloride
magnesium;8-bromooct-1-yne;chloride (PubChem CID 88505597) has the molecular formula C8H12BrClMg
and a molecular weight of 247.85 g/mol. Its IUPAC name is magnesium;8-bromooct-1-yne;chloride.
Molecular Properties
| Compound Name | magnesium;8-bromooct-1-yne;chloride |
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| PubChem CID | 88505597 |
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| Molecular Formula | C8H12BrClMg |
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| Molecular Weight | 247.85 g/mol |
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| Exact Mass | 245.97 |
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| IUPAC Name | magnesium;8-bromooct-1-yne;chloride |
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| SMILES | [C-]#CCCCCCCBr.[Cl-].[Mg+2] |
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| InChI | InChI=1S/C8H12Br.ClH.Mg/c1-2-3-4-5-6-7-8-9;;/h3-8H2;1H;/q-1;;+2/p-1 |
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| InChIKey | HPLZIXZZOGIFLX-UHFFFAOYSA-M |
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| XLogP | -0.46 |
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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 | 5 |
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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 |
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| MW ≤ 500 | 247.85 |
| LogP ≤ 5 | -0.46 |
| 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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of magnesium;8-bromooct-1-yne;chloride?
The IUPAC name of magnesium;8-bromooct-1-yne;chloride (CID 88505597) is magnesium;8-bromooct-1-yne;chloride.
What is the SMILES notation for magnesium;8-bromooct-1-yne;chloride?
The canonical SMILES for magnesium;8-bromooct-1-yne;chloride is [C-]#CCCCCCCBr.[Cl-].[Mg+2].
What is the InChIKey of magnesium;8-bromooct-1-yne;chloride?
The InChIKey is HPLZIXZZOGIFLX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12Br.ClH.Mg/c1-2-3-4-5-6-7-8-9;;/h3-8H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;8-bromooct-1-yne;chloride?
magnesium;8-bromooct-1-yne;chloride has a molecular weight of 247.85 g/mol, XLogP of -0.46, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;8-bromooct-1-yne;chloride is sourced from PubChem (CID 88505597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).