2,4-Dimethyl-2-hexenoic acid (CHEBI:180311)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2,4-Dimethyl-2-hexenoic acid

ChEBI ID	CHEBI:180311

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H14O2

Net Charge

Average Mass

142.198

Monoisotopic Mass

142.09938

InChI

InChI=1S/C8H14O2/c1-4-6(2)5-7(3)8(9)10/h5-6H,4H2,1-3H3,(H,9,10)/b7-5+

InChIKey

DCELYZLYGOHVMN-FNORWQNLSA-N

SMILES

OC(=O)\C(=C\C(CC)C)\C

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	2,4-Dimethyl-2-hexenoic acid (CHEBI:180311) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name

(E)-2,4-dimethylhex-2-enoic acid