About CID 59990705
CID 59990705 (PubChem CID 59990705) has the molecular formula C8H8BY-
and a molecular weight of 203.87 g/mol.
Molecular Properties
| Compound Name | CID 59990705 |
|---|
| PubChem CID | 59990705 |
|---|
| Molecular Formula | C8H8BY- |
|---|
| Molecular Weight | 203.87 g/mol |
|---|
| Exact Mass | 203.98 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [B]c1[c-]cc(C)c(C)c1.[Y] |
|---|
| InChI | InChI=1S/C8H8B.Y/c1-6-3-4-8(9)5-7(6)2;/h3,5H,1-2H3;/q-1; |
|---|
| InChIKey | AYANUSPZXPBTDQ-UHFFFAOYSA-N |
|---|
| XLogP | 0.89 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 10 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 203.87 |
| LogP ≤ 5 | 0.89 |
| 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 59990705?
The IUPAC name of CID 59990705 (CID 59990705) is not available.
What is the SMILES notation for CID 59990705?
The canonical SMILES for CID 59990705 is [B]c1[c-]cc(C)c(C)c1.[Y].
What is the InChIKey of CID 59990705?
The InChIKey is AYANUSPZXPBTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8B.Y/c1-6-3-4-8(9)5-7(6)2;/h3,5H,1-2H3;/q-1;.
What are the key properties of CID 59990705?
CID 59990705 has a molecular weight of 203.87 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59990705 is sourced from PubChem (CID 59990705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).