About 5,6-dihydroxycyclohex-4-ene-1,3-dione
5,6-dihydroxycyclohex-4-ene-1,3-dione (PubChem CID 151781188) has the molecular formula C6H6O4
and a molecular weight of 142.11 g/mol. Its IUPAC name is 5,6-dihydroxycyclohex-4-ene-1,3-dione.
Molecular Properties
| Compound Name | 5,6-dihydroxycyclohex-4-ene-1,3-dione |
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| PubChem CID | 151781188 |
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| Molecular Formula | C6H6O4 |
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| Molecular Weight | 142.11 g/mol |
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| Exact Mass | 142.03 |
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| IUPAC Name | 5,6-dihydroxycyclohex-4-ene-1,3-dione |
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| SMILES | O=C1C=C(O)C(O)C(=O)C1 |
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| InChI | InChI=1S/C6H6O4/c7-3-1-4(8)6(10)5(9)2-3/h1,6,8,10H,2H2 |
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| InChIKey | DZFJNWFBDIJZFV-UHFFFAOYSA-N |
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| XLogP | -0.67 |
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| TPSA | 74.60 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 142.11 |
| LogP ≤ 5 | -0.67 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5,6-dihydroxycyclohex-4-ene-1,3-dione?
The IUPAC name of 5,6-dihydroxycyclohex-4-ene-1,3-dione (CID 151781188) is 5,6-dihydroxycyclohex-4-ene-1,3-dione.
What is the SMILES notation for 5,6-dihydroxycyclohex-4-ene-1,3-dione?
The canonical SMILES for 5,6-dihydroxycyclohex-4-ene-1,3-dione is O=C1C=C(O)C(O)C(=O)C1.
What is the InChIKey of 5,6-dihydroxycyclohex-4-ene-1,3-dione?
The InChIKey is DZFJNWFBDIJZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4/c7-3-1-4(8)6(10)5(9)2-3/h1,6,8,10H,2H2.
What are the key properties of 5,6-dihydroxycyclohex-4-ene-1,3-dione?
5,6-dihydroxycyclohex-4-ene-1,3-dione has a molecular weight of 142.11 g/mol, XLogP of -0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxycyclohex-4-ene-1,3-dione is sourced from PubChem (CID 151781188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).