About bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride
bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride (PubChem CID 173280773) has the molecular formula C28H42Cl2Hf2Si2
and a molecular weight of 862.70 g/mol. Its IUPAC name is bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride.
Molecular Properties
| Compound Name | bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride |
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| PubChem CID | 173280773 |
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| Molecular Formula | C28H42Cl2Hf2Si2 |
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| Molecular Weight | 862.70 g/mol |
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| Exact Mass | 864.11 |
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| IUPAC Name | bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride |
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| SMILES | CC1=[C-]CC=C1.CC1=[C-]CC=C1.CC1=[C-]CC=C1.CC1=[C-]CC=C1.C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cl.Cl |
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| InChI | InChI=1S/4C6H7.2C2H6Si.2ClH.2Hf/c4*1-6-4-2-3-5-6;2*1-3-2;;;;/h4*2,4H,3H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2 |
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| InChIKey | RIPWHWGPRFUTRO-UHFFFAOYSA-N |
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| XLogP | 9.20 |
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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 | 34 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 862.70 |
| LogP ≤ 5 | 9.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride?
The IUPAC name of bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride (CID 173280773) is bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride.
What is the SMILES notation for bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride?
The canonical SMILES for bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride is CC1=[C-]CC=C1.CC1=[C-]CC=C1.CC1=[C-]CC=C1.CC1=[C-]CC=C1.C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cl.Cl.
What is the InChIKey of bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride?
The InChIKey is RIPWHWGPRFUTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H7.2C2H6Si.2ClH.2Hf/c4*1-6-4-2-3-5-6;2*1-3-2;;;;/h4*2,4H,3H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2.
What are the key properties of bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride?
bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride has a molecular weight of 862.70 g/mol, XLogP of 9.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride is sourced from PubChem (CID 173280773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).