2K3

3-OXO-5-METHYLHEXANOIC ACID

Created:2012-02-29
Last modified:  2024-09-27

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count21
Aromatic Bond Count0
2D diagram of 2K3

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name3-OXO-5-METHYLHEXANOIC ACID
Systematic Name (OpenEye OEToolkits)5-methyl-3-oxidanylidene-hexanoic acid
FormulaC7 H12 O3
Molecular Weight144.168
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(CC(C)C)CC(=O)O
SMILESCACTVS3.385CC(C)CC(=O)CC(O)=O
SMILESOpenEye OEToolkits1.9.2CC(C)CC(=O)CC(=O)O
Canonical SMILESCACTVS3.385 CC(C)CC(=O)CC(O)=O
Canonical SMILESOpenEye OEToolkits1.9.2 CC(C)CC(=O)CC(=O)O
InChIInChI1.03 InChI=1S/C7H12O3/c1-5(2)3-6(8)4-7(9)10/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyInChI1.03 LGKQVMSGOUJVCB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 10898829