About CID 10968103
CID 10968103 (PubChem CID 10968103) has the molecular formula C15H18FeO2+2
and a molecular weight of 286.15 g/mol.
Molecular Properties
| Compound Name | CID 10968103 |
|---|
| PubChem CID | 10968103 |
|---|
| Molecular Formula | C15H18FeO2+2 |
|---|
| Molecular Weight | 286.15 g/mol |
|---|
| Exact Mass | 286.06 |
|---|
| IUPAC Name | — |
|---|
| SMILES | COC(=O)CCC[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2] |
|---|
| InChI | InChI=1S/C10H13O2.C5H5.Fe/c1-12-10(11)8-4-7-9-5-2-3-6-9;1-2-4-5-3-1;/h2-3,5-6H,4,7-8H2,1H3;1-5H;/q;;+2 |
|---|
| InChIKey | DCOFVKKFMVYSIG-UHFFFAOYSA-N |
|---|
| XLogP | 2.75 |
|---|
| TPSA | 26.30 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 18 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 286.15 |
| LogP ≤ 5 | 2.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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 10968103?
The IUPAC name of CID 10968103 (CID 10968103) is not available.
What is the SMILES notation for CID 10968103?
The canonical SMILES for CID 10968103 is COC(=O)CCC[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 10968103?
The InChIKey is DCOFVKKFMVYSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O2.C5H5.Fe/c1-12-10(11)8-4-7-9-5-2-3-6-9;1-2-4-5-3-1;/h2-3,5-6H,4,7-8H2,1H3;1-5H;/q;;+2.
What are the key properties of CID 10968103?
CID 10968103 has a molecular weight of 286.15 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10968103 is sourced from PubChem (CID 10968103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).