About CID 11381969
CID 11381969 (PubChem CID 11381969) has the molecular formula C16H20SiZr+2
and a molecular weight of 331.65 g/mol.
Molecular Properties
| Compound Name | CID 11381969 |
|---|
| PubChem CID | 11381969 |
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| Molecular Formula | C16H20SiZr+2 |
|---|
| Molecular Weight | 331.65 g/mol |
|---|
| Exact Mass | 330.04 |
|---|
| IUPAC Name | — |
|---|
| SMILES | C=CC=C.C[Si](C)([C]1[CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH]1.[Zr+2] |
|---|
| InChI | InChI=1S/C12H14Si.C4H6.Zr/c1-13(2,11-7-3-4-8-11)12-9-5-6-10-12;1-3-4-2;/h3-10H,1-2H3;3-4H,1-2H2;/q;;+2 |
|---|
| InChIKey | FXONOSYPYIAFST-UHFFFAOYSA-N |
|---|
| XLogP | 3.94 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 3 |
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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 | 331.65 |
| LogP ≤ 5 | 3.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of CID 11381969?
The IUPAC name of CID 11381969 (CID 11381969) is not available.
What is the SMILES notation for CID 11381969?
The canonical SMILES for CID 11381969 is C=CC=C.C[Si](C)([C]1[CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH]1.[Zr+2].
What is the InChIKey of CID 11381969?
The InChIKey is FXONOSYPYIAFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Si.C4H6.Zr/c1-13(2,11-7-3-4-8-11)12-9-5-6-10-12;1-3-4-2;/h3-10H,1-2H3;3-4H,1-2H2;/q;;+2.
What are the key properties of CID 11381969?
CID 11381969 has a molecular weight of 331.65 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11381969 is sourced from PubChem (CID 11381969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).