About Se-(furan-2-carbonylselanyl) furan-2-carboselenoate
Se-(furan-2-carbonylselanyl) furan-2-carboselenoate (PubChem CID 14909312) has the molecular formula C10H6O4Se2
and a molecular weight of 348.07 g/mol. Its IUPAC name is Se-(furan-2-carbonylselanyl) furan-2-carboselenoate.
Molecular Properties
| Compound Name | Se-(furan-2-carbonylselanyl) furan-2-carboselenoate |
| PubChem CID | 14909312 |
| Molecular Formula | C10H6O4Se2 |
| Molecular Weight | 348.07 g/mol |
| Exact Mass | 349.86 |
| IUPAC Name | Se-(furan-2-carbonylselanyl) furan-2-carboselenoate |
| SMILES | O=C([Se][Se]C(=O)c1ccco1)c1ccco1 |
| InChI | InChI=1S/C10H6O4Se2/c11-9(7-3-1-5-13-7)15-16-10(12)8-4-2-6-14-8/h1-6H |
| InChIKey | UYSOURHIOZHDJC-UHFFFAOYSA-N |
| XLogP | 1.18 |
| TPSA | 60.42 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 348.07 |
| LogP ≤ 5 | 1.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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 Se-(furan-2-carbonylselanyl) furan-2-carboselenoate?
The IUPAC name of Se-(furan-2-carbonylselanyl) furan-2-carboselenoate (CID 14909312) is Se-(furan-2-carbonylselanyl) furan-2-carboselenoate.
What is the SMILES notation for Se-(furan-2-carbonylselanyl) furan-2-carboselenoate?
The canonical SMILES for Se-(furan-2-carbonylselanyl) furan-2-carboselenoate is O=C([Se][Se]C(=O)c1ccco1)c1ccco1.
What is the InChIKey of Se-(furan-2-carbonylselanyl) furan-2-carboselenoate?
The InChIKey is UYSOURHIOZHDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O4Se2/c11-9(7-3-1-5-13-7)15-16-10(12)8-4-2-6-14-8/h1-6H.
What are the key properties of Se-(furan-2-carbonylselanyl) furan-2-carboselenoate?
Se-(furan-2-carbonylselanyl) furan-2-carboselenoate has a molecular weight of 348.07 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Se-(furan-2-carbonylselanyl) furan-2-carboselenoate is sourced from PubChem (CID 14909312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).