About CID 10104328
CID 10104328 (PubChem CID 10104328) has the molecular formula C8H11CuO2
and a molecular weight of 202.72 g/mol.
Molecular Properties
| Compound Name | CID 10104328 |
|---|
| PubChem CID | 10104328 |
|---|
| Molecular Formula | C8H11CuO2 |
|---|
| Molecular Weight | 202.72 g/mol |
|---|
| Exact Mass | 202.01 |
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| IUPAC Name | — |
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| SMILES | [C-]1=CCCCC12OCCO2.[Cu+] |
|---|
| InChI | InChI=1S/C8H11O2.Cu/c1-2-4-8(5-3-1)9-6-7-10-8;/h2H,1,3,5-7H2;/q-1;+1 |
|---|
| InChIKey | UBODDYXHPITRHY-UHFFFAOYSA-N |
|---|
| XLogP | 1.27 |
|---|
| TPSA | 18.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 11 |
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| Complexity | — |
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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 10104328?
The IUPAC name of CID 10104328 (CID 10104328) is not available.
What is the SMILES notation for CID 10104328?
The canonical SMILES for CID 10104328 is [C-]1=CCCCC12OCCO2.[Cu+].
What is the InChIKey of CID 10104328?
The InChIKey is UBODDYXHPITRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2.Cu/c1-2-4-8(5-3-1)9-6-7-10-8;/h2H,1,3,5-7H2;/q-1;+1.
What are the key properties of CID 10104328?
CID 10104328 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 10104328 is sourced from PubChem (CID 10104328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).