About magnesium;benzene;butane
magnesium;benzene;butane (PubChem CID 13152995) has the molecular formula C10H14Mg
and a molecular weight of 158.53 g/mol. Its IUPAC name is magnesium;benzene;butane.
Molecular Properties
| Compound Name | magnesium;benzene;butane |
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| PubChem CID | 13152995 |
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| Molecular Formula | C10H14Mg |
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| Molecular Weight | 158.53 g/mol |
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| Exact Mass | 158.09 |
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| IUPAC Name | magnesium;benzene;butane |
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| SMILES | [CH2-]CCC.[Mg+2].[c-]1ccccc1 |
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| InChI | InChI=1S/C6H5.C4H9.Mg/c1-2-4-6-5-3-1;1-3-4-2;/h1-5H;1,3-4H2,2H3;/q2*-1;+2 |
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| InChIKey | POXJTYVRARGVJD-UHFFFAOYSA-N |
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| XLogP | 2.73 |
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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 | 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 | 158.53 |
| LogP ≤ 5 | 2.73 |
| 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;butane?
The IUPAC name of magnesium;benzene;butane (CID 13152995) is magnesium;benzene;butane.
What is the SMILES notation for magnesium;benzene;butane?
The canonical SMILES for magnesium;benzene;butane is [CH2-]CCC.[Mg+2].[c-]1ccccc1.
What is the InChIKey of magnesium;benzene;butane?
The InChIKey is POXJTYVRARGVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C4H9.Mg/c1-2-4-6-5-3-1;1-3-4-2;/h1-5H;1,3-4H2,2H3;/q2*-1;+2.
What are the key properties of magnesium;benzene;butane?
magnesium;benzene;butane has a molecular weight of 158.53 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzene;butane is sourced from PubChem (CID 13152995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).