About magnesium;benzene;bis(cyclopentane)
magnesium;benzene;bis(cyclopentane) (PubChem CID 173281105) has the molecular formula C22H30Mg
and a molecular weight of 318.79 g/mol. Its IUPAC name is magnesium;benzene;bis(cyclopentane).
Molecular Properties
| Compound Name | magnesium;benzene;bis(cyclopentane) |
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| PubChem CID | 173281105 |
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| Molecular Formula | C22H30Mg |
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| Molecular Weight | 318.79 g/mol |
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| Exact Mass | 318.22 |
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| IUPAC Name | magnesium;benzene;bis(cyclopentane) |
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| SMILES | C1CCCC1.C1CCCC1.[Mg+2].[c-]1ccccc1.[c-]1ccccc1 |
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| InChI | InChI=1S/2C6H5.2C5H10.Mg/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h2*1-5H;2*1-5H2;/q2*-1;;;+2 |
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| InChIKey | SPXQMJKKGBOOMO-UHFFFAOYSA-N |
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| XLogP | 6.49 |
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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 | 23 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 318.79 |
| LogP ≤ 5 | 6.49 |
| 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;bis(cyclopentane)?
The IUPAC name of magnesium;benzene;bis(cyclopentane) (CID 173281105) is magnesium;benzene;bis(cyclopentane).
What is the SMILES notation for magnesium;benzene;bis(cyclopentane)?
The canonical SMILES for magnesium;benzene;bis(cyclopentane) is C1CCCC1.C1CCCC1.[Mg+2].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of magnesium;benzene;bis(cyclopentane)?
The InChIKey is SPXQMJKKGBOOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.2C5H10.Mg/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h2*1-5H;2*1-5H2;/q2*-1;;;+2.
What are the key properties of magnesium;benzene;bis(cyclopentane)?
magnesium;benzene;bis(cyclopentane) has a molecular weight of 318.79 g/mol, XLogP of 6.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzene;bis(cyclopentane) is sourced from PubChem (CID 173281105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).