About magnesium bis(tert-butylbenzene)
magnesium bis(tert-butylbenzene) (PubChem CID 15646340) has the molecular formula C20H26Mg
and a molecular weight of 290.73 g/mol. Its IUPAC name is magnesium bis(tert-butylbenzene).
Molecular Properties
| Compound Name | magnesium bis(tert-butylbenzene) |
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| PubChem CID | 15646340 |
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| Molecular Formula | C20H26Mg |
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| Molecular Weight | 290.73 g/mol |
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| Exact Mass | 290.19 |
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| IUPAC Name | magnesium bis(tert-butylbenzene) |
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| SMILES | CC(C)(C)c1cc[c-]cc1.CC(C)(C)c1cc[c-]cc1.[Mg+2] |
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| InChI | InChI=1S/2C10H13.Mg/c2*1-10(2,3)9-7-5-4-6-8-9;/h2*5-8H,1-3H3;/q2*-1;+2 |
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| InChIKey | ZHCJFOJPNJQYHY-UHFFFAOYSA-N |
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| XLogP | 5.19 |
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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 | 21 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 290.73 |
| LogP ≤ 5 | 5.19 |
| 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 bis(tert-butylbenzene)?
The IUPAC name of magnesium bis(tert-butylbenzene) (CID 15646340) is magnesium bis(tert-butylbenzene).
What is the SMILES notation for magnesium bis(tert-butylbenzene)?
The canonical SMILES for magnesium bis(tert-butylbenzene) is CC(C)(C)c1cc[c-]cc1.CC(C)(C)c1cc[c-]cc1.[Mg+2].
What is the InChIKey of magnesium bis(tert-butylbenzene)?
The InChIKey is ZHCJFOJPNJQYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13.Mg/c2*1-10(2,3)9-7-5-4-6-8-9;/h2*5-8H,1-3H3;/q2*-1;+2.
What are the key properties of magnesium bis(tert-butylbenzene)?
magnesium bis(tert-butylbenzene) has a molecular weight of 290.73 g/mol, XLogP of 5.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(tert-butylbenzene) is sourced from PubChem (CID 15646340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).