About dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride
dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride (PubChem CID 21095943) has the molecular formula C30H39Cl2HfP
and a molecular weight of 680.01 g/mol. Its IUPAC name is dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride.
Molecular Properties
| Compound Name | dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride |
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| PubChem CID | 21095943 |
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| Molecular Formula | C30H39Cl2HfP |
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| Molecular Weight | 680.01 g/mol |
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| Exact Mass | 680.16 |
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| IUPAC Name | dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride |
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| SMILES | CCCCCCP(CCCCCC)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]ccc2c1 |
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| InChI | InChI=1S/C21H32P.C9H7.2ClH.Hf/c1-3-5-7-11-15-22(16-12-8-6-4-2)21-17-19-13-9-10-14-20(19)18-21;1-2-5-9-7-3-6-8(9)4-1;;;/h9-10,13-14,17-18H,3-8,11-12,15-16H2,1-2H3;1-7H;2*1H;/q2*-1;;;+4/p-2 |
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| InChIKey | ZGBBTBKMWSQQCA-UHFFFAOYSA-L |
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| XLogP | 3.39 |
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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 | 11 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 680.01 |
| LogP ≤ 5 | 3.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride?
The IUPAC name of dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride (CID 21095943) is dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride.
What is the SMILES notation for dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride?
The canonical SMILES for dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride is CCCCCCP(CCCCCC)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]ccc2c1.
What is the InChIKey of dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride?
The InChIKey is ZGBBTBKMWSQQCA-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H32P.C9H7.2ClH.Hf/c1-3-5-7-11-15-22(16-12-8-6-4-2)21-17-19-13-9-10-14-20(19)18-21;1-2-5-9-7-3-6-8(9)4-1;;;/h9-10,13-14,17-18H,3-8,11-12,15-16H2,1-2H3;1-7H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride?
dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride has a molecular weight of 680.01 g/mol, XLogP of 3.39, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride is sourced from PubChem (CID 21095943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).