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

C8H8O6 — CID 59805380

IUPAC5,6-dimethoxycyclohexane-1,2,3,4-tetrone
SMILESCOC1C(=O)C(=O)C(=O)C(=O)C1OC
InChIInChI=1S/C8H8O6/c1-13-7-5(11)3(9)4(10)6(12)8(7)14-2/h7-8H,1-2H3
InChIKeyKNRDSVYGTDIVSG-UHFFFAOYSA-N
MW200.15 g/mol
LogP-1.69
Rot. Bonds2

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

5,6-dimethoxycyclohexane-1,2,3,4-tetrone (PubChem CID 59805380) has the molecular formula C8H8O6 and a molecular weight of 200.15 g/mol. Its IUPAC name is 5,6-dimethoxycyclohexane-1,2,3,4-tetrone.

Molecular Properties

Compound Name5,6-dimethoxycyclohexane-1,2,3,4-tetrone
PubChem CID59805380
Molecular FormulaC8H8O6
Molecular Weight200.15 g/mol
Exact Mass200.03
IUPAC Name5,6-dimethoxycyclohexane-1,2,3,4-tetrone
SMILESCOC1C(=O)C(=O)C(=O)C(=O)C1OC
InChIInChI=1S/C8H8O6/c1-13-7-5(11)3(9)4(10)6(12)8(7)14-2/h7-8H,1-2H3
InChIKeyKNRDSVYGTDIVSG-UHFFFAOYSA-N
XLogP-1.69
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-1.69
H-Bond Donors ≤ 50
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-dimethoxycyclohexane-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-dimethoxycyclohexane-1,2,3,4-tetrone?
The IUPAC name of 5,6-dimethoxycyclohexane-1,2,3,4-tetrone (CID 59805380) is 5,6-dimethoxycyclohexane-1,2,3,4-tetrone.
What is the SMILES notation for 5,6-dimethoxycyclohexane-1,2,3,4-tetrone?
The canonical SMILES for 5,6-dimethoxycyclohexane-1,2,3,4-tetrone is COC1C(=O)C(=O)C(=O)C(=O)C1OC.
What is the InChIKey of 5,6-dimethoxycyclohexane-1,2,3,4-tetrone?
The InChIKey is KNRDSVYGTDIVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O6/c1-13-7-5(11)3(9)4(10)6(12)8(7)14-2/h7-8H,1-2H3.
What are the key properties of 5,6-dimethoxycyclohexane-1,2,3,4-tetrone?
5,6-dimethoxycyclohexane-1,2,3,4-tetrone has a molecular weight of 200.15 g/mol, XLogP of -1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxycyclohexane-1,2,3,4-tetrone is sourced from PubChem (CID 59805380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).