About CID 175049337
CID 175049337 (PubChem CID 175049337) has the molecular formula C30H38HfSi
and a molecular weight of 605.21 g/mol.
Molecular Properties
| Compound Name | CID 175049337 |
|---|
| PubChem CID | 175049337 |
|---|
| Molecular Formula | C30H38HfSi |
|---|
| Molecular Weight | 605.21 g/mol |
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| Exact Mass | 606.22 |
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| IUPAC Name | — |
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| SMILES | CC=Cc1c(C)[cH-]c2ccccc12.CC=Cc1c(C)[cH-]c2ccccc12.C[Si]C.[CH3-].[CH3-].[Hf+4] |
|---|
| InChI | InChI=1S/2C13H13.C2H6Si.2CH3.Hf/c2*1-3-6-12-10(2)9-11-7-4-5-8-13(11)12;1-3-2;;;/h2*3-9H,1-2H3;1-2H3;2*1H3;/q2*-1;;2*-1;+4 |
|---|
| InChIKey | VNCRDEORBWPIOU-UHFFFAOYSA-N |
|---|
| XLogP | 9.49 |
|---|
| 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 | 32 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 605.21 |
| LogP ≤ 5 | 9.49 |
| 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 175049337?
The IUPAC name of CID 175049337 (CID 175049337) is not available.
What is the SMILES notation for CID 175049337?
The canonical SMILES for CID 175049337 is CC=Cc1c(C)[cH-]c2ccccc12.CC=Cc1c(C)[cH-]c2ccccc12.C[Si]C.[CH3-].[CH3-].[Hf+4].
What is the InChIKey of CID 175049337?
The InChIKey is VNCRDEORBWPIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H13.C2H6Si.2CH3.Hf/c2*1-3-6-12-10(2)9-11-7-4-5-8-13(11)12;1-3-2;;;/h2*3-9H,1-2H3;1-2H3;2*1H3;/q2*-1;;2*-1;+4.
What are the key properties of CID 175049337?
CID 175049337 has a molecular weight of 605.21 g/mol, XLogP of 9.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175049337 is sourced from PubChem (CID 175049337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).