58X

(2E)-3,7-dimethylocta-2,6-dienoic acid

Created:2015-08-26
Last modified:  2015-10-28

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count27
Aromatic Bond Count0
2D diagram of 58X

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

Name(2E)-3,7-dimethylocta-2,6-dienoic acid
Systematic Name (OpenEye OEToolkits)(2E)-3,7-dimethylocta-2,6-dienoic acid
FormulaC10 H16 O2
Molecular Weight168.233
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(=[C@H]CCC(=[C@H]C(O)=O)C)C
SMILESCACTVS3.385CC(C)=CCCC(C)=CC(O)=O
SMILESOpenEye OEToolkits1.9.2CC(=CCCC(=CC(=O)O)C)C
Canonical SMILESCACTVS3.385 CC(C)=CCC\C(C)=C\C(O)=O
Canonical SMILESOpenEye OEToolkits1.9.2 CC(=CCC/C(=C/C(=O)O)/C)C
InChIInChI1.03 InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+
InChIKeyInChI1.03 ZHYZQXUYZJNEHD-VQHVLOKHSA-N

Related Resource References

Resource NameReference
PubChem 5275520
ChEMBL CHEMBL170190
ChEBI CHEBI:67264