About cyclopenta-2,4-dien-1-ylidenemethanediolate
cyclopenta-2,4-dien-1-ylidenemethanediolate (PubChem CID 7567049) has the molecular formula C6H4O2-2
and a molecular weight of 108.10 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylidenemethanediolate.
Molecular Properties
| Compound Name | cyclopenta-2,4-dien-1-ylidenemethanediolate |
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| PubChem CID | 7567049 |
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| Molecular Formula | C6H4O2-2 |
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| Molecular Weight | 108.10 g/mol |
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| Exact Mass | 108.02 |
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| IUPAC Name | cyclopenta-2,4-dien-1-ylidenemethanediolate |
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| SMILES | [O-]C([O-])=C1C=CC=C1 |
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| InChI | InChI=1S/C6H6O2/c7-6(8)5-3-1-2-4-5/h1-4,7-8H/p-2 |
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| InChIKey | RSGVLLWTWVXLGR-UHFFFAOYSA-L |
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| XLogP | -0.96 |
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| TPSA | 46.12 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 | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 108.10 |
| LogP ≤ 5 | -0.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of cyclopenta-2,4-dien-1-ylidenemethanediolate?
The IUPAC name of cyclopenta-2,4-dien-1-ylidenemethanediolate (CID 7567049) is cyclopenta-2,4-dien-1-ylidenemethanediolate.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylidenemethanediolate?
The canonical SMILES for cyclopenta-2,4-dien-1-ylidenemethanediolate is [O-]C([O-])=C1C=CC=C1.
What is the InChIKey of cyclopenta-2,4-dien-1-ylidenemethanediolate?
The InChIKey is RSGVLLWTWVXLGR-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6O2/c7-6(8)5-3-1-2-4-5/h1-4,7-8H/p-2.
What are the key properties of cyclopenta-2,4-dien-1-ylidenemethanediolate?
cyclopenta-2,4-dien-1-ylidenemethanediolate has a molecular weight of 108.10 g/mol, XLogP of -0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-ylidenemethanediolate is sourced from PubChem (CID 7567049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).