About CID 173001477
CID 173001477 (PubChem CID 173001477) has the molecular formula C18H33Cl2HfSi3
and a molecular weight of 583.12 g/mol.
Molecular Properties
| Compound Name | CID 173001477 |
|---|
| PubChem CID | 173001477 |
|---|
| Molecular Formula | C18H33Cl2HfSi3 |
|---|
| Molecular Weight | 583.12 g/mol |
|---|
| Exact Mass | 583.07 |
|---|
| IUPAC Name | — |
|---|
| SMILES | C[SiH]C.C[Si](C)(C)C1=CC[C-]=C1.C[Si](C)(C)C1=CC[C-]=C1.[Cl-].[Cl-].[Hf+4] |
|---|
| InChI | InChI=1S/2C8H13Si.C2H7Si.2ClH.Hf/c2*1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2*6-7H,4H2,1-3H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2 |
|---|
| InChIKey | KPBGDRYPXZKQTI-UHFFFAOYSA-L |
|---|
| XLogP | -0.37 |
|---|
| 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 | 24 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 583.12 |
| LogP ≤ 5 | -0.37 |
| 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 173001477?
The IUPAC name of CID 173001477 (CID 173001477) is not available.
What is the SMILES notation for CID 173001477?
The canonical SMILES for CID 173001477 is C[SiH]C.C[Si](C)(C)C1=CC[C-]=C1.C[Si](C)(C)C1=CC[C-]=C1.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of CID 173001477?
The InChIKey is KPBGDRYPXZKQTI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H13Si.C2H7Si.2ClH.Hf/c2*1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2*6-7H,4H2,1-3H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173001477?
CID 173001477 has a molecular weight of 583.12 g/mol, XLogP of -0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173001477 is sourced from PubChem (CID 173001477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).