About CID 174024183
CID 174024183 (PubChem CID 174024183) has the molecular formula C23H42B3
and a molecular weight of 351.03 g/mol.
Molecular Properties
| Compound Name | CID 174024183 |
|---|
| PubChem CID | 174024183 |
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| Molecular Formula | C23H42B3 |
|---|
| Molecular Weight | 351.03 g/mol |
|---|
| Exact Mass | 351.36 |
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| IUPAC Name | — |
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| SMILES | [B]1CCCCC23CCCC[B]CCCC2CCC[B]CCCC3CCC1 |
|---|
| InChI | InChI=1S/C23H42B3/c1-3-15-24-17-5-9-21-11-7-19-26-20-8-12-22-10-6-18-25-16-4-2-14-23(21,22)13-1/h21-22H,1-20H2 |
|---|
| InChIKey | CBAPNBRDTUHTKQ-UHFFFAOYSA-N |
|---|
| XLogP | 7.33 |
|---|
| TPSA | 0.00 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 26 |
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| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 351.03 |
| LogP ≤ 5 | 7.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 174024183?
The IUPAC name of CID 174024183 (CID 174024183) is not available.
What is the SMILES notation for CID 174024183?
The canonical SMILES for CID 174024183 is [B]1CCCCC23CCCC[B]CCCC2CCC[B]CCCC3CCC1.
What is the InChIKey of CID 174024183?
The InChIKey is CBAPNBRDTUHTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42B3/c1-3-15-24-17-5-9-21-11-7-19-26-20-8-12-22-10-6-18-25-16-4-2-14-23(21,22)13-1/h21-22H,1-20H2.
What are the key properties of CID 174024183?
CID 174024183 has a molecular weight of 351.03 g/mol, XLogP of 7.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174024183 is sourced from PubChem (CID 174024183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).