About sodium;2-bromo-2-methylpropane;hydride
sodium;2-bromo-2-methylpropane;hydride (PubChem CID 174910439) has the molecular formula C4H10BrNa
and a molecular weight of 161.02 g/mol. Its IUPAC name is sodium;2-bromo-2-methylpropane;hydride.
Molecular Properties
| Compound Name | sodium;2-bromo-2-methylpropane;hydride |
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| PubChem CID | 174910439 |
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| Molecular Formula | C4H10BrNa |
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| Molecular Weight | 161.02 g/mol |
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| Exact Mass | 159.99 |
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| IUPAC Name | sodium;2-bromo-2-methylpropane;hydride |
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| SMILES | CC(C)(C)Br.[H-].[Na+] |
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| InChI | InChI=1S/C4H9Br.Na.H/c1-4(2,3)5;;/h1-3H3;;/q;+1;-1 |
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| InChIKey | QYVDPOYFUOPHCQ-UHFFFAOYSA-N |
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| XLogP | -0.70 |
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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 | 6 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 161.02 |
| LogP ≤ 5 | -0.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of sodium;2-bromo-2-methylpropane;hydride?
The IUPAC name of sodium;2-bromo-2-methylpropane;hydride (CID 174910439) is sodium;2-bromo-2-methylpropane;hydride.
What is the SMILES notation for sodium;2-bromo-2-methylpropane;hydride?
The canonical SMILES for sodium;2-bromo-2-methylpropane;hydride is CC(C)(C)Br.[H-].[Na+].
What is the InChIKey of sodium;2-bromo-2-methylpropane;hydride?
The InChIKey is QYVDPOYFUOPHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Br.Na.H/c1-4(2,3)5;;/h1-3H3;;/q;+1;-1.
What are the key properties of sodium;2-bromo-2-methylpropane;hydride?
sodium;2-bromo-2-methylpropane;hydride has a molecular weight of 161.02 g/mol, XLogP of -0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-bromo-2-methylpropane;hydride is sourced from PubChem (CID 174910439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).