About 5,6-bis(dihydroxymethylidene)cyclohexa-1,3-diene-1,4-diol
5,6-bis(dihydroxymethylidene)cyclohexa-1,3-diene-1,4-diol (PubChem CID 57322550) has the molecular formula C8H8O6
and a molecular weight of 200.15 g/mol. Its IUPAC name is 5,6-bis(dihydroxymethylidene)cyclohexa-1,3-diene-1,4-diol.
Molecular Properties
| Compound Name | 5,6-bis(dihydroxymethylidene)cyclohexa-1,3-diene-1,4-diol |
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| PubChem CID | 57322550 |
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| Molecular Formula | C8H8O6 |
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| Molecular Weight | 200.15 g/mol |
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| Exact Mass | 200.03 |
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| IUPAC Name | 5,6-bis(dihydroxymethylidene)cyclohexa-1,3-diene-1,4-diol |
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| SMILES | OC(O)=c1c(O)ccc(O)c1=C(O)O |
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| InChI | InChI=1S/C8H8O6/c9-3-1-2-4(10)6(8(13)14)5(3)7(11)12/h1-2,9-14H |
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| InChIKey | FYMLKUHIKRBPLF-UHFFFAOYSA-N |
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| XLogP | -0.54 |
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| TPSA | 121.38 Ų |
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| H-Bond Donors | 6 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | |
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| Heavy Atoms | 14 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 200.15 |
| LogP ≤ 5 | -0.54 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroquinone', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5,6-bis(dihydroxymethylidene)cyclohexa-1,3-diene-1,4-diol?
The IUPAC name of 5,6-bis(dihydroxymethylidene)cyclohexa-1,3-diene-1,4-diol (CID 57322550) is 5,6-bis(dihydroxymethylidene)cyclohexa-1,3-diene-1,4-diol.
What is the SMILES notation for 5,6-bis(dihydroxymethylidene)cyclohexa-1,3-diene-1,4-diol?
The canonical SMILES for 5,6-bis(dihydroxymethylidene)cyclohexa-1,3-diene-1,4-diol is OC(O)=c1c(O)ccc(O)c1=C(O)O.
What is the InChIKey of 5,6-bis(dihydroxymethylidene)cyclohexa-1,3-diene-1,4-diol?
The InChIKey is FYMLKUHIKRBPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O6/c9-3-1-2-4(10)6(8(13)14)5(3)7(11)12/h1-2,9-14H.
What are the key properties of 5,6-bis(dihydroxymethylidene)cyclohexa-1,3-diene-1,4-diol?
5,6-bis(dihydroxymethylidene)cyclohexa-1,3-diene-1,4-diol has a molecular weight of 200.15 g/mol, XLogP of -0.54, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(dihydroxymethylidene)cyclohexa-1,3-diene-1,4-diol is sourced from PubChem (CID 57322550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).