About CID 15966554
CID 15966554 (PubChem CID 15966554) has the molecular formula C8H11CuO2
and a molecular weight of 202.72 g/mol.
Molecular Properties
| Compound Name | CID 15966554 |
|---|
| PubChem CID | 15966554 |
|---|
| Molecular Formula | C8H11CuO2 |
|---|
| Molecular Weight | 202.72 g/mol |
|---|
| Exact Mass | 202.01 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [C-]1=CC2(CCC1)OCCO2.[Cu+] |
|---|
| InChI | InChI=1S/C8H11O2.Cu/c1-2-4-8(5-3-1)9-6-7-10-8;/h5H,1-2,4,6-7H2;/q-1;+1 |
|---|
| InChIKey | JGSNUHDLTOQVRU-UHFFFAOYSA-N |
|---|
| XLogP | 1.27 |
|---|
| TPSA | 18.46 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 11 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 202.72 |
| LogP ≤ 5 | 1.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of CID 15966554?
The IUPAC name of CID 15966554 (CID 15966554) is not available.
What is the SMILES notation for CID 15966554?
The canonical SMILES for CID 15966554 is [C-]1=CC2(CCC1)OCCO2.[Cu+].
What is the InChIKey of CID 15966554?
The InChIKey is JGSNUHDLTOQVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2.Cu/c1-2-4-8(5-3-1)9-6-7-10-8;/h5H,1-2,4,6-7H2;/q-1;+1.
What are the key properties of CID 15966554?
CID 15966554 has a molecular weight of 202.72 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15966554 is sourced from PubChem (CID 15966554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).