About (2,3-dihydroxy-2,3-dimethylbutyl)boronic acid
(2,3-dihydroxy-2,3-dimethylbutyl)boronic acid (PubChem CID 141106835) has the molecular formula C6H15BO4
and a molecular weight of 161.99 g/mol. Its IUPAC name is (2,3-dihydroxy-2,3-dimethylbutyl)boronic acid.
Molecular Properties
| Compound Name | (2,3-dihydroxy-2,3-dimethylbutyl)boronic acid |
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| PubChem CID | 141106835 |
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| Molecular Formula | C6H15BO4 |
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| Molecular Weight | 161.99 g/mol |
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| Exact Mass | 162.11 |
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| IUPAC Name | (2,3-dihydroxy-2,3-dimethylbutyl)boronic acid |
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| SMILES | CC(C)(O)C(C)(O)CB(O)O |
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| InChI | InChI=1S/C6H15BO4/c1-5(2,8)6(3,9)4-7(10)11/h8-11H,4H2,1-3H3 |
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| InChIKey | QUYYFLQOOJBZMO-UHFFFAOYSA-N |
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| XLogP | -1.02 |
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| TPSA | 80.92 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 3 |
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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 | 161.99 |
| LogP ≤ 5 | -1.02 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (2,3-dihydroxy-2,3-dimethylbutyl)boronic acid?
The IUPAC name of (2,3-dihydroxy-2,3-dimethylbutyl)boronic acid (CID 141106835) is (2,3-dihydroxy-2,3-dimethylbutyl)boronic acid.
What is the SMILES notation for (2,3-dihydroxy-2,3-dimethylbutyl)boronic acid?
The canonical SMILES for (2,3-dihydroxy-2,3-dimethylbutyl)boronic acid is CC(C)(O)C(C)(O)CB(O)O.
What is the InChIKey of (2,3-dihydroxy-2,3-dimethylbutyl)boronic acid?
The InChIKey is QUYYFLQOOJBZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15BO4/c1-5(2,8)6(3,9)4-7(10)11/h8-11H,4H2,1-3H3.
What are the key properties of (2,3-dihydroxy-2,3-dimethylbutyl)boronic acid?
(2,3-dihydroxy-2,3-dimethylbutyl)boronic acid has a molecular weight of 161.99 g/mol, XLogP of -1.02, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydroxy-2,3-dimethylbutyl)boronic acid is sourced from PubChem (CID 141106835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).