About 2,2-dichloropropane;tetrahydrochloride
2,2-dichloropropane;tetrahydrochloride (PubChem CID 141013314) has the molecular formula C3H10Cl6
and a molecular weight of 258.83 g/mol. Its IUPAC name is 2,2-dichloropropane;tetrahydrochloride.
Molecular Properties
| Compound Name | 2,2-dichloropropane;tetrahydrochloride |
|---|
| PubChem CID | 141013314 |
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| Molecular Formula | C3H10Cl6 |
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| Molecular Weight | 258.83 g/mol |
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| Exact Mass | 255.89 |
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| IUPAC Name | 2,2-dichloropropane;tetrahydrochloride |
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| SMILES | CC(C)(Cl)Cl.Cl.Cl.Cl.Cl |
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| InChI | InChI=1S/C3H6Cl2.4ClH/c1-3(2,4)5;;;;/h1-2H3;4*1H |
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| InChIKey | VBLQFZRGBYDOLK-UHFFFAOYSA-N |
|---|
| XLogP | 3.89 |
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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 | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 258.83 |
| LogP ≤ 5 | 3.89 |
| 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 2,2-dichloropropane;tetrahydrochloride?
The IUPAC name of 2,2-dichloropropane;tetrahydrochloride (CID 141013314) is 2,2-dichloropropane;tetrahydrochloride.
What is the SMILES notation for 2,2-dichloropropane;tetrahydrochloride?
The canonical SMILES for 2,2-dichloropropane;tetrahydrochloride is CC(C)(Cl)Cl.Cl.Cl.Cl.Cl.
What is the InChIKey of 2,2-dichloropropane;tetrahydrochloride?
The InChIKey is VBLQFZRGBYDOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Cl2.4ClH/c1-3(2,4)5;;;;/h1-2H3;4*1H.
What are the key properties of 2,2-dichloropropane;tetrahydrochloride?
2,2-dichloropropane;tetrahydrochloride has a molecular weight of 258.83 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloropropane;tetrahydrochloride is sourced from PubChem (CID 141013314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).