copper;2-oxohexanoic acid

C6H10CuO3 — CID 88811226

IUPACcopper;2-oxohexanoic acid
SMILESCCCCC(=O)C(=O)O.[Cu]
InChIInChI=1S/C6H10O3.Cu/c1-2-3-4-5(7)6(8)9;/h2-4H2,1H3,(H,8,9);
InChIKeyGSIJTEDEFYSHGC-UHFFFAOYSA-N
MW193.69 g/mol
LogP0.83
Rot. Bonds4

About copper;2-oxohexanoic acid

copper;2-oxohexanoic acid (PubChem CID 88811226) has the molecular formula C6H10CuO3 and a molecular weight of 193.69 g/mol. Its IUPAC name is copper;2-oxohexanoic acid.

Molecular Properties

Compound Namecopper;2-oxohexanoic acid
PubChem CID88811226
Molecular FormulaC6H10CuO3
Molecular Weight193.69 g/mol
Exact Mass192.99
IUPAC Namecopper;2-oxohexanoic acid
SMILESCCCCC(=O)C(=O)O.[Cu]
InChIInChI=1S/C6H10O3.Cu/c1-2-3-4-5(7)6(8)9;/h2-4H2,1H3,(H,8,9);
InChIKeyGSIJTEDEFYSHGC-UHFFFAOYSA-N
XLogP0.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.69
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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ethane;pentanoic acid
CID 142198531
5-hydroxy-2-oxopentanoic acid
CID 23572080

Frequently Asked Questions

What is the IUPAC name of copper;2-oxohexanoic acid?
The IUPAC name of copper;2-oxohexanoic acid (CID 88811226) is copper;2-oxohexanoic acid.
What is the SMILES notation for copper;2-oxohexanoic acid?
The canonical SMILES for copper;2-oxohexanoic acid is CCCCC(=O)C(=O)O.[Cu].
What is the InChIKey of copper;2-oxohexanoic acid?
The InChIKey is GSIJTEDEFYSHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.Cu/c1-2-3-4-5(7)6(8)9;/h2-4H2,1H3,(H,8,9);.
What are the key properties of copper;2-oxohexanoic acid?
copper;2-oxohexanoic acid has a molecular weight of 193.69 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-oxohexanoic acid is sourced from PubChem (CID 88811226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).