About (E)-1-bromo-2,3-dideuteriopent-2-ene
(E)-1-bromo-2,3-dideuteriopent-2-ene (PubChem CID 58388272) has the molecular formula C5H9Br
and a molecular weight of 151.04 g/mol. Its IUPAC name is (E)-1-bromo-2,3-dideuteriopent-2-ene.
Molecular Properties
| Compound Name | (E)-1-bromo-2,3-dideuteriopent-2-ene |
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| PubChem CID | 58388272 |
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| Molecular Formula | C5H9Br |
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| Molecular Weight | 151.04 g/mol |
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| Exact Mass | 150.00 |
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| IUPAC Name | (E)-1-bromo-2,3-dideuteriopent-2-ene |
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| SMILES | [2H]/C(CC)=C(/[2H])CBr |
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| InChI | InChI=1S/C5H9Br/c1-2-3-4-5-6/h3-4H,2,5H2,1H3/b4-3+/i3D,4D |
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| InChIKey | FTBPZRNURKMEFD-SWIHUIHJSA-N |
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| XLogP | 2.35 |
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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 | 2 |
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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 | 151.04 |
| LogP ≤ 5 | 2.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (E)-1-bromo-2,3-dideuteriopent-2-ene?
The IUPAC name of (E)-1-bromo-2,3-dideuteriopent-2-ene (CID 58388272) is (E)-1-bromo-2,3-dideuteriopent-2-ene.
What is the SMILES notation for (E)-1-bromo-2,3-dideuteriopent-2-ene?
The canonical SMILES for (E)-1-bromo-2,3-dideuteriopent-2-ene is [2H]/C(CC)=C(/[2H])CBr.
What is the InChIKey of (E)-1-bromo-2,3-dideuteriopent-2-ene?
The InChIKey is FTBPZRNURKMEFD-SWIHUIHJSA-N. The full InChI is InChI=1S/C5H9Br/c1-2-3-4-5-6/h3-4H,2,5H2,1H3/b4-3+/i3D,4D.
What are the key properties of (E)-1-bromo-2,3-dideuteriopent-2-ene?
(E)-1-bromo-2,3-dideuteriopent-2-ene has a molecular weight of 151.04 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-2,3-dideuteriopent-2-ene is sourced from PubChem (CID 58388272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).