About dimethylsilicon(2+);hafnium(4+);2-methyl-1H-cyclopenta[a]naphthalene;2-methyl-2H-cyclopenta[g][1]benzofuran;dichloride
dimethylsilicon(2+);hafnium(4+);2-methyl-1H-cyclopenta[a]naphthalene;2-methyl-2H-cyclopenta[g][1]benzofuran;dichloride (PubChem CID 158805387) has the molecular formula C28H32Cl2HfOSi+4
and a molecular weight of 662.05 g/mol. Its IUPAC name is dimethylsilicon(2+);hafnium(4+);2-methyl-1H-cyclopenta[a]naphthalene;2-methyl-2H-cyclopenta[g][1]benzofuran;dichloride.
Molecular Properties
| Compound Name | dimethylsilicon(2+);hafnium(4+);2-methyl-1H-cyclopenta[a]naphthalene;2-methyl-2H-cyclopenta[g][1]benzofuran;dichloride |
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| PubChem CID | 158805387 |
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| Molecular Formula | C28H32Cl2HfOSi+4 |
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| Molecular Weight | 662.05 g/mol |
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| Exact Mass | 662.10 |
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| IUPAC Name | dimethylsilicon(2+);hafnium(4+);2-methyl-1H-cyclopenta[a]naphthalene;2-methyl-2H-cyclopenta[g][1]benzofuran;dichloride |
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| SMILES | CC1=Cc2ccc3ccccc3c2C1.CC1C=c2ccc3c(c2O1)C=CC=3.C[SiH4+2]C.[Cl-].[Cl-].[Hf+4] |
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| InChI | InChI=1S/C14H12.C12H10O.C2H10Si.2ClH.Hf/c1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)9-10;1-8-7-10-6-5-9-3-2-4-11(9)12(10)13-8;1-3-2;;;/h2-8H,9H2,1H3;2-8H,1H3;1-2H3,3H4;2*1H;/q;;+2;;;+4/p-2 |
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| InChIKey | ZEGFLHYVDZCYDJ-UHFFFAOYSA-L |
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| XLogP | -1.42 |
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| TPSA | 9.23 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 662.05 |
| LogP ≤ 5 | -1.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dimethylsilicon(2+);hafnium(4+);2-methyl-1H-cyclopenta[a]naphthalene;2-methyl-2H-cyclopenta[g][1]benzofuran;dichloride?
The IUPAC name of dimethylsilicon(2+);hafnium(4+);2-methyl-1H-cyclopenta[a]naphthalene;2-methyl-2H-cyclopenta[g][1]benzofuran;dichloride (CID 158805387) is dimethylsilicon(2+);hafnium(4+);2-methyl-1H-cyclopenta[a]naphthalene;2-methyl-2H-cyclopenta[g][1]benzofuran;dichloride.
What is the SMILES notation for dimethylsilicon(2+);hafnium(4+);2-methyl-1H-cyclopenta[a]naphthalene;2-methyl-2H-cyclopenta[g][1]benzofuran;dichloride?
The canonical SMILES for dimethylsilicon(2+);hafnium(4+);2-methyl-1H-cyclopenta[a]naphthalene;2-methyl-2H-cyclopenta[g][1]benzofuran;dichloride is CC1=Cc2ccc3ccccc3c2C1.CC1C=c2ccc3c(c2O1)C=CC=3.C[SiH4+2]C.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of dimethylsilicon(2+);hafnium(4+);2-methyl-1H-cyclopenta[a]naphthalene;2-methyl-2H-cyclopenta[g][1]benzofuran;dichloride?
The InChIKey is ZEGFLHYVDZCYDJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H12.C12H10O.C2H10Si.2ClH.Hf/c1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)9-10;1-8-7-10-6-5-9-3-2-4-11(9)12(10)13-8;1-3-2;;;/h2-8H,9H2,1H3;2-8H,1H3;1-2H3,3H4;2*1H;/q;;+2;;;+4/p-2.
What are the key properties of dimethylsilicon(2+);hafnium(4+);2-methyl-1H-cyclopenta[a]naphthalene;2-methyl-2H-cyclopenta[g][1]benzofuran;dichloride?
dimethylsilicon(2+);hafnium(4+);2-methyl-1H-cyclopenta[a]naphthalene;2-methyl-2H-cyclopenta[g][1]benzofuran;dichloride has a molecular weight of 662.05 g/mol, XLogP of -1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilicon(2+);hafnium(4+);2-methyl-1H-cyclopenta[a]naphthalene;2-methyl-2H-cyclopenta[g][1]benzofuran;dichloride is sourced from PubChem (CID 158805387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).