About (2R,4R)-1,5-dibromopentane-2,4-diol
(2R,4R)-1,5-dibromopentane-2,4-diol (PubChem CID 641234) has the molecular formula C5H10Br2O2
and a molecular weight of 261.94 g/mol. Its IUPAC name is (2R,4R)-1,5-dibromopentane-2,4-diol.
Molecular Properties
| Compound Name | (2R,4R)-1,5-dibromopentane-2,4-diol |
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| PubChem CID | 641234 |
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| Molecular Formula | C5H10Br2O2 |
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| Molecular Weight | 261.94 g/mol |
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| Exact Mass | 259.90 |
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| IUPAC Name | (2R,4R)-1,5-dibromopentane-2,4-diol |
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| SMILES | O[C@@H](CBr)C[C@@H](O)CBr |
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| InChI | InChI=1S/C5H10Br2O2/c6-2-4(8)1-5(9)3-7/h4-5,8-9H,1-3H2/t4-,5-/m1/s1 |
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| InChIKey | IZMILZILGRGOIM-RFZPGFLSSA-N |
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| XLogP | 0.89 |
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| TPSA | 40.46 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 261.94 |
| LogP ≤ 5 | 0.89 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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 (2R,4R)-1,5-dibromopentane-2,4-diol?
The IUPAC name of (2R,4R)-1,5-dibromopentane-2,4-diol (CID 641234) is (2R,4R)-1,5-dibromopentane-2,4-diol.
What is the SMILES notation for (2R,4R)-1,5-dibromopentane-2,4-diol?
The canonical SMILES for (2R,4R)-1,5-dibromopentane-2,4-diol is O[C@@H](CBr)C[C@@H](O)CBr.
What is the InChIKey of (2R,4R)-1,5-dibromopentane-2,4-diol?
The InChIKey is IZMILZILGRGOIM-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H10Br2O2/c6-2-4(8)1-5(9)3-7/h4-5,8-9H,1-3H2/t4-,5-/m1/s1.
What are the key properties of (2R,4R)-1,5-dibromopentane-2,4-diol?
(2R,4R)-1,5-dibromopentane-2,4-diol has a molecular weight of 261.94 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1,5-dibromopentane-2,4-diol is sourced from PubChem (CID 641234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).