About magnesium bis(2-methylpropan-2-olate)
magnesium bis(2-methylpropan-2-olate) (PubChem CID 12040442) has the molecular formula C8H18MgO2
and a molecular weight of 170.53 g/mol. Its IUPAC name is magnesium bis(2-methylpropan-2-olate).
Molecular Properties
| Compound Name | magnesium bis(2-methylpropan-2-olate) |
|---|
| PubChem CID | 12040442 |
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| Molecular Formula | C8H18MgO2 |
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| Molecular Weight | 170.53 g/mol |
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| Exact Mass | 170.12 |
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| IUPAC Name | magnesium bis(2-methylpropan-2-olate) |
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| SMILES | CC(C)(C)[O-].CC(C)(C)[O-].[Mg+2] |
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| InChI | InChI=1S/2C4H9O.Mg/c2*1-4(2,3)5;/h2*1-3H3;/q2*-1;+2 |
|---|
| InChIKey | RTKCPZYOLXPARI-UHFFFAOYSA-N |
|---|
| XLogP | -0.09 |
|---|
| TPSA | 46.12 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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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 |
|---|
| MW ≤ 500 | 170.53 |
| LogP ≤ 5 | -0.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of magnesium bis(2-methylpropan-2-olate)?
The IUPAC name of magnesium bis(2-methylpropan-2-olate) (CID 12040442) is magnesium bis(2-methylpropan-2-olate).
What is the SMILES notation for magnesium bis(2-methylpropan-2-olate)?
The canonical SMILES for magnesium bis(2-methylpropan-2-olate) is CC(C)(C)[O-].CC(C)(C)[O-].[Mg+2].
What is the InChIKey of magnesium bis(2-methylpropan-2-olate)?
The InChIKey is RTKCPZYOLXPARI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O.Mg/c2*1-4(2,3)5;/h2*1-3H3;/q2*-1;+2.
What are the key properties of magnesium bis(2-methylpropan-2-olate)?
magnesium bis(2-methylpropan-2-olate) has a molecular weight of 170.53 g/mol, XLogP of -0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-methylpropan-2-olate) is sourced from PubChem (CID 12040442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).