5,6-dihydroxycyclohexane-1,2,3,4-tetrone

C6H4O6 — CID 5063510

IUPAC5,6-dihydroxycyclohexane-1,2,3,4-tetrone
SMILESO=C1C(=O)C(=O)C(O)C(O)C1=O
InChIInChI=1S/C6H4O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-2,7-8H
InChIKeySLMIQMVBMZJQAX-UHFFFAOYSA-N
MW172.09 g/mol
LogP-3.00
Rot. Bonds

About 5,6-dihydroxycyclohexane-1,2,3,4-tetrone

5,6-dihydroxycyclohexane-1,2,3,4-tetrone (PubChem CID 5063510) has the molecular formula C6H4O6 and a molecular weight of 172.09 g/mol. Its IUPAC name is 5,6-dihydroxycyclohexane-1,2,3,4-tetrone.

Molecular Properties

Compound Name5,6-dihydroxycyclohexane-1,2,3,4-tetrone
PubChem CID5063510
Molecular FormulaC6H4O6
Molecular Weight172.09 g/mol
Exact Mass172.00
IUPAC Name5,6-dihydroxycyclohexane-1,2,3,4-tetrone
SMILESO=C1C(=O)C(=O)C(O)C(O)C1=O
InChIInChI=1S/C6H4O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-2,7-8H
InChIKeySLMIQMVBMZJQAX-UHFFFAOYSA-N
XLogP-3.00
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.09
LogP ≤ 5-3.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5,6-dihydroxycyclohexane-1,2,3,4-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxycyclohexane-1,2,3,4-tetrone?
The IUPAC name of 5,6-dihydroxycyclohexane-1,2,3,4-tetrone (CID 5063510) is 5,6-dihydroxycyclohexane-1,2,3,4-tetrone.
What is the SMILES notation for 5,6-dihydroxycyclohexane-1,2,3,4-tetrone?
The canonical SMILES for 5,6-dihydroxycyclohexane-1,2,3,4-tetrone is O=C1C(=O)C(=O)C(O)C(O)C1=O.
What is the InChIKey of 5,6-dihydroxycyclohexane-1,2,3,4-tetrone?
The InChIKey is SLMIQMVBMZJQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-2,7-8H.
What are the key properties of 5,6-dihydroxycyclohexane-1,2,3,4-tetrone?
5,6-dihydroxycyclohexane-1,2,3,4-tetrone has a molecular weight of 172.09 g/mol, XLogP of -3.00, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxycyclohexane-1,2,3,4-tetrone is sourced from PubChem (CID 5063510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).