About CID 173055569
CID 173055569 (PubChem CID 173055569) has the molecular formula C19H33Cl2SiZr
and a molecular weight of 451.69 g/mol.
Molecular Properties
| Compound Name | CID 173055569 |
|---|
| PubChem CID | 173055569 |
|---|
| Molecular Formula | C19H33Cl2SiZr |
|---|
| Molecular Weight | 451.69 g/mol |
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| Exact Mass | 449.08 |
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| IUPAC Name | — |
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| SMILES | C[SiH]C.Cc1c[c-](C)c(C)c1C.Cc1cc[c-](C)c1C.Cl.Cl.[Zr+2] |
|---|
| InChI | InChI=1S/C9H13.C8H11.C2H7Si.2ClH.Zr/c1-6-5-7(2)9(4)8(6)3;1-6-4-5-7(2)8(6)3;1-3-2;;;/h5H,1-4H3;4-5H,1-3H3;3H,1-2H3;2*1H;/q2*-1;;;;+2 |
|---|
| InChIKey | ZKKAEGDUSMCWTF-UHFFFAOYSA-N |
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| XLogP | 6.33 |
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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 | 23 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 451.69 |
| LogP ≤ 5 | 6.33 |
| 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 173055569?
The IUPAC name of CID 173055569 (CID 173055569) is not available.
What is the SMILES notation for CID 173055569?
The canonical SMILES for CID 173055569 is C[SiH]C.Cc1c[c-](C)c(C)c1C.Cc1cc[c-](C)c1C.Cl.Cl.[Zr+2].
What is the InChIKey of CID 173055569?
The InChIKey is ZKKAEGDUSMCWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C8H11.C2H7Si.2ClH.Zr/c1-6-5-7(2)9(4)8(6)3;1-6-4-5-7(2)8(6)3;1-3-2;;;/h5H,1-4H3;4-5H,1-3H3;3H,1-2H3;2*1H;/q2*-1;;;;+2.
What are the key properties of CID 173055569?
CID 173055569 has a molecular weight of 451.69 g/mol, XLogP of 6.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173055569 is sourced from PubChem (CID 173055569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).