About magnesium benzene
magnesium benzene (PubChem CID 11150) has the molecular formula C12H10Mg
and a molecular weight of 178.52 g/mol. Its IUPAC name is magnesium benzene.
Molecular Properties
| Compound Name | magnesium benzene |
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| PubChem CID | 11150 |
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| Molecular Formula | C12H10Mg |
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| Molecular Weight | 178.52 g/mol |
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| Exact Mass | 178.06 |
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| IUPAC Name | magnesium benzene |
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| SMILES | [Mg+2].[c-]1ccccc1.[c-]1ccccc1 |
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| InChI | InChI=1S/2C6H5.Mg/c2*1-2-4-6-5-3-1;/h2*1-5H;/q2*-1;+2 |
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| InChIKey | WRYKIHMRDIOPSI-UHFFFAOYSA-N |
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| XLogP | 2.59 |
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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 | 13 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 178.52 |
| LogP ≤ 5 | 2.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of magnesium benzene?
The IUPAC name of magnesium benzene (CID 11150) is magnesium benzene.
What is the SMILES notation for magnesium benzene?
The canonical SMILES for magnesium benzene is [Mg+2].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of magnesium benzene?
The InChIKey is WRYKIHMRDIOPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.Mg/c2*1-2-4-6-5-3-1;/h2*1-5H;/q2*-1;+2.
What are the key properties of magnesium benzene?
magnesium benzene has a molecular weight of 178.52 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium benzene is sourced from PubChem (CID 11150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).