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

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

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ChEBI ID	CHEBI:180311
ChEBI Name	2,4-Dimethyl-2-hexenoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C8H14O2
Net Charge	0
Average Mass	142.198
Monoisotopic Mass	142.09938
SMILES	CCC(C)/C=C(\C)C(=O)O
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

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	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

Manual Xrefs	Databases
10367466	ChemSpider
LMFA01030796	LIPID MAPS