About CID 173115631
CID 173115631 (PubChem CID 173115631) has the molecular formula C14H23Cl2SiZr
and a molecular weight of 381.55 g/mol.
Molecular Properties
| Compound Name | CID 173115631 |
|---|
| PubChem CID | 173115631 |
|---|
| Molecular Formula | C14H23Cl2SiZr |
|---|
| Molecular Weight | 381.55 g/mol |
|---|
| Exact Mass | 379.00 |
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| IUPAC Name | — |
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| SMILES | CC1=[C-]CC=C1.CC1=[C-]CC=C1.C[SiH]C.Cl.Cl.[Zr+2] |
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| InChI | InChI=1S/2C6H7.C2H7Si.2ClH.Zr/c2*1-6-4-2-3-5-6;1-3-2;;;/h2*2,4H,3H2,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+2 |
|---|
| InChIKey | CMFLIJOMUXCQOF-UHFFFAOYSA-N |
|---|
| XLogP | 4.75 |
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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 | 18 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 381.55 |
| LogP ≤ 5 | 4.75 |
| 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 173115631?
The IUPAC name of CID 173115631 (CID 173115631) is not available.
What is the SMILES notation for CID 173115631?
The canonical SMILES for CID 173115631 is CC1=[C-]CC=C1.CC1=[C-]CC=C1.C[SiH]C.Cl.Cl.[Zr+2].
What is the InChIKey of CID 173115631?
The InChIKey is CMFLIJOMUXCQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7.C2H7Si.2ClH.Zr/c2*1-6-4-2-3-5-6;1-3-2;;;/h2*2,4H,3H2,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+2.
What are the key properties of CID 173115631?
CID 173115631 has a molecular weight of 381.55 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173115631 is sourced from PubChem (CID 173115631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).