About CID 173063851
CID 173063851 (PubChem CID 173063851) has the molecular formula C18H29Cl2SiZr
and a molecular weight of 435.65 g/mol.
Molecular Properties
| Compound Name | CID 173063851 |
|---|
| PubChem CID | 173063851 |
|---|
| Molecular Formula | C18H29Cl2SiZr |
|---|
| Molecular Weight | 435.65 g/mol |
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| Exact Mass | 433.05 |
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| IUPAC Name | — |
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| SMILES | CCCC1=[C-]CC=C1.CCCC1=[C-]CC=C1.C[SiH]C.[Cl-].[Cl-].[Zr+4] |
|---|
| InChI | InChI=1S/2C8H11.C2H7Si.2ClH.Zr/c2*1-2-5-8-6-3-4-7-8;1-3-2;;;/h2*3,6H,2,4-5H2,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2 |
|---|
| InChIKey | CSHZQBWGSMVROS-UHFFFAOYSA-L |
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| XLogP | -0.52 |
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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 | 22 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 435.65 |
| LogP ≤ 5 | -0.52 |
| 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 173063851?
The IUPAC name of CID 173063851 (CID 173063851) is not available.
What is the SMILES notation for CID 173063851?
The canonical SMILES for CID 173063851 is CCCC1=[C-]CC=C1.CCCC1=[C-]CC=C1.C[SiH]C.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of CID 173063851?
The InChIKey is CSHZQBWGSMVROS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H11.C2H7Si.2ClH.Zr/c2*1-2-5-8-6-3-4-7-8;1-3-2;;;/h2*3,6H,2,4-5H2,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173063851?
CID 173063851 has a molecular weight of 435.65 g/mol, XLogP of -0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173063851 is sourced from PubChem (CID 173063851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).