About CID 175694488
CID 175694488 (PubChem CID 175694488) has the molecular formula C26H66Si6Zr-10
and a molecular weight of 638.55 g/mol.
Molecular Properties
| Compound Name | CID 175694488 |
|---|
| PubChem CID | 175694488 |
|---|
| Molecular Formula | C26H66Si6Zr-10 |
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| Molecular Weight | 638.55 g/mol |
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| Exact Mass | 636.29 |
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| IUPAC Name | — |
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| SMILES | C[Si](C)(C)C[c-]1cccc1.C[Si](C)(C)C[c-]1cccc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[SiH3].[SiH3].[SiH3].[SiH3].[Zr] |
|---|
| InChI | InChI=1S/2C9H15Si.8CH3.4H3Si.Zr/c2*1-10(2,3)8-9-6-4-5-7-9;;;;;;;;;;;;;/h2*4-7H,8H2,1-3H3;12*1H3;/q10*-1;;;;; |
|---|
| InChIKey | HIXRAGSOHHGFED-UHFFFAOYSA-N |
|---|
| XLogP | 4.52 |
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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 | 4 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 638.55 |
| LogP ≤ 5 | 4.52 |
| 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 CID 175694488?
The IUPAC name of CID 175694488 (CID 175694488) is not available.
What is the SMILES notation for CID 175694488?
The canonical SMILES for CID 175694488 is C[Si](C)(C)C[c-]1cccc1.C[Si](C)(C)C[c-]1cccc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[SiH3].[SiH3].[SiH3].[SiH3].[Zr].
What is the InChIKey of CID 175694488?
The InChIKey is HIXRAGSOHHGFED-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H15Si.8CH3.4H3Si.Zr/c2*1-10(2,3)8-9-6-4-5-7-9;;;;;;;;;;;;;/h2*4-7H,8H2,1-3H3;12*1H3;/q10*-1;;;;;.
What are the key properties of CID 175694488?
CID 175694488 has a molecular weight of 638.55 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175694488 is sourced from PubChem (CID 175694488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).