About CID 159641533
CID 159641533 (PubChem CID 159641533) has the molecular formula C20H93B13
and a molecular weight of 487.60 g/mol.
Molecular Properties
| Compound Name | CID 159641533 |
|---|
| PubChem CID | 159641533 |
|---|
| Molecular Formula | C20H93B13 |
|---|
| Molecular Weight | 487.60 g/mol |
|---|
| Exact Mass | 489.93 |
|---|
| IUPAC Name | — |
|---|
| SMILES | C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.[2H][B].[2H][B].[2H][B].[2H][B].[2H][B].[2H][B].[2H][B].[2H][B].[2H][B].[2H][B].[2H][B].[2H][B].[2H][B] |
|---|
| InChI | InChI=1S/20CH4.13BH/h20*1H4;13*1H/i;;;;;;;;;;;;;;;;;;;;13*1D |
|---|
| InChIKey | WAAOVLJTSWORKJ-CGHOPEAMSA-N |
|---|
| XLogP | 4.29 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 33 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 487.60 |
| LogP ≤ 5 | 4.29 |
| 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 159641533?
The IUPAC name of CID 159641533 (CID 159641533) is not available.
What is the SMILES notation for CID 159641533?
The canonical SMILES for CID 159641533 is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.[2H][B].[2H][B].[2H][B].[2H][B].[2H][B].[2H][B].[2H][B].[2H][B].[2H][B].[2H][B].[2H][B].[2H][B].[2H][B].
What is the InChIKey of CID 159641533?
The InChIKey is WAAOVLJTSWORKJ-CGHOPEAMSA-N. The full InChI is InChI=1S/20CH4.13BH/h20*1H4;13*1H/i;;;;;;;;;;;;;;;;;;;;13*1D.
What are the key properties of CID 159641533?
CID 159641533 has a molecular weight of 487.60 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159641533 is sourced from PubChem (CID 159641533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).