About CID 162266903
CID 162266903 (PubChem CID 162266903) has the molecular formula C22H42B
and a molecular weight of 319.40 g/mol.
Molecular Properties
| Compound Name | CID 162266903 |
|---|
| PubChem CID | 162266903 |
|---|
| Molecular Formula | C22H42B |
|---|
| Molecular Weight | 319.40 g/mol |
|---|
| Exact Mass | 319.35 |
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| IUPAC Name | — |
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| SMILES | C.CC(C)C1=Cc2ccccc2C1C.CCC(C)CC(C)C.[B].[H][2H].[H][2H] |
|---|
| InChI | InChI=1S/C13H16.C8H18.CH4.B.2H2/c1-9(2)13-8-11-6-4-5-7-12(11)10(13)3;1-5-8(4)6-7(2)3;;;;/h4-10H,1-3H3;7-8H,5-6H2,1-4H3;1H4;;2*1H/i;;;;2*1+1 |
|---|
| InChIKey | BHPWRDOHGBLZJH-REZQDPELSA-N |
|---|
| XLogP | 7.67 |
|---|
| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 23 |
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| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 319.40 |
| LogP ≤ 5 | 7.67 |
| 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 162266903?
The IUPAC name of CID 162266903 (CID 162266903) is not available.
What is the SMILES notation for CID 162266903?
The canonical SMILES for CID 162266903 is C.CC(C)C1=Cc2ccccc2C1C.CCC(C)CC(C)C.[B].[H][2H].[H][2H].
What is the InChIKey of CID 162266903?
The InChIKey is BHPWRDOHGBLZJH-REZQDPELSA-N. The full InChI is InChI=1S/C13H16.C8H18.CH4.B.2H2/c1-9(2)13-8-11-6-4-5-7-12(11)10(13)3;1-5-8(4)6-7(2)3;;;;/h4-10H,1-3H3;7-8H,5-6H2,1-4H3;1H4;;2*1H/i;;;;2*1+1.
What are the key properties of CID 162266903?
CID 162266903 has a molecular weight of 319.40 g/mol, XLogP of 7.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162266903 is sourced from PubChem (CID 162266903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).