About 1-chloro-1,2-dimethylphosphiren-1-ium;tetrachloroalumanuide
1-chloro-1,2-dimethylphosphiren-1-ium;tetrachloroalumanuide (PubChem CID 16696951) has the molecular formula C4H7AlCl5P
and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-chloro-1,2-dimethylphosphiren-1-ium;tetrachloroalumanuide.
Molecular Properties
| Compound Name | 1-chloro-1,2-dimethylphosphiren-1-ium;tetrachloroalumanuide |
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| PubChem CID | 16696951 |
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| Molecular Formula | C4H7AlCl5P |
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| Molecular Weight | 290.32 g/mol |
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| Exact Mass | 287.85 |
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| IUPAC Name | 1-chloro-1,2-dimethylphosphiren-1-ium;tetrachloroalumanuide |
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| SMILES | CC1=C[P+]1(C)Cl.Cl[Al-](Cl)(Cl)Cl |
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| InChI | InChI=1S/C4H7ClP.Al.4ClH/c1-4-3-6(4,2)5;;;;;/h3H,1-2H3;;4*1H/q+1;+3;;;;/p-4 |
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| InChIKey | ITDMMQZFKOGQMF-UHFFFAOYSA-J |
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| XLogP | 5.04 |
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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 | 11 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 290.32 |
| LogP ≤ 5 | 5.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-chloro-1,2-dimethylphosphiren-1-ium;tetrachloroalumanuide?
The IUPAC name of 1-chloro-1,2-dimethylphosphiren-1-ium;tetrachloroalumanuide (CID 16696951) is 1-chloro-1,2-dimethylphosphiren-1-ium;tetrachloroalumanuide.
What is the SMILES notation for 1-chloro-1,2-dimethylphosphiren-1-ium;tetrachloroalumanuide?
The canonical SMILES for 1-chloro-1,2-dimethylphosphiren-1-ium;tetrachloroalumanuide is CC1=C[P+]1(C)Cl.Cl[Al-](Cl)(Cl)Cl.
What is the InChIKey of 1-chloro-1,2-dimethylphosphiren-1-ium;tetrachloroalumanuide?
The InChIKey is ITDMMQZFKOGQMF-UHFFFAOYSA-J. The full InChI is InChI=1S/C4H7ClP.Al.4ClH/c1-4-3-6(4,2)5;;;;;/h3H,1-2H3;;4*1H/q+1;+3;;;;/p-4.
What are the key properties of 1-chloro-1,2-dimethylphosphiren-1-ium;tetrachloroalumanuide?
1-chloro-1,2-dimethylphosphiren-1-ium;tetrachloroalumanuide has a molecular weight of 290.32 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,2-dimethylphosphiren-1-ium;tetrachloroalumanuide is sourced from PubChem (CID 16696951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).