About CID 45276954
CID 45276954 (PubChem CID 45276954) has the molecular formula C32H34FeSi2+2
and a molecular weight of 530.64 g/mol.
Molecular Properties
| Compound Name | CID 45276954 |
|---|
| PubChem CID | 45276954 |
|---|
| Molecular Formula | C32H34FeSi2+2 |
|---|
| Molecular Weight | 530.64 g/mol |
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| Exact Mass | 530.15 |
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| IUPAC Name | — |
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| SMILES | C[Si](C)(C)C#Cc1ccc([C]2[CH][CH][CH][CH]2)cc1.C[Si](C)(C)C#Cc1ccc([C]2[CH][CH][CH][CH]2)cc1.[Fe+2] |
|---|
| InChI | InChI=1S/2C16H17Si.Fe/c2*1-17(2,3)13-12-14-8-10-16(11-9-14)15-6-4-5-7-15;/h2*4-11H,1-3H3;/q;;+2 |
|---|
| InChIKey | LXZJCLIDTVMHFR-UHFFFAOYSA-N |
|---|
| XLogP | 7.34 |
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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 | 2 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 530.64 |
| LogP ≤ 5 | 7.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 45276954?
The IUPAC name of CID 45276954 (CID 45276954) is not available.
What is the SMILES notation for CID 45276954?
The canonical SMILES for CID 45276954 is C[Si](C)(C)C#Cc1ccc([C]2[CH][CH][CH][CH]2)cc1.C[Si](C)(C)C#Cc1ccc([C]2[CH][CH][CH][CH]2)cc1.[Fe+2].
What is the InChIKey of CID 45276954?
The InChIKey is LXZJCLIDTVMHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H17Si.Fe/c2*1-17(2,3)13-12-14-8-10-16(11-9-14)15-6-4-5-7-15;/h2*4-11H,1-3H3;/q;;+2.
What are the key properties of CID 45276954?
CID 45276954 has a molecular weight of 530.64 g/mol, XLogP of 7.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 45276954 is sourced from PubChem (CID 45276954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).