2,2-dimethyl-hexanoic acid (CHEBI:179958)

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CHEBI:179958 - 2,2-dimethyl-hexanoic acid

Default Structure

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ChEBI ID	CHEBI:179958
ChEBI Name	2,2-dimethyl-hexanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C8H16O2
Net Charge	0
Average Mass	144.214
Monoisotopic Mass	144.11503
SMILES	CCCCC(C)(C)C(=O)O
InChI	InChI=1S/C8H16O2/c1-4-5-6-8(2,3)7(9)10/h4-6H2,1-3H3,(H,9,10)
InChIKey	YTTWDTVYXAEAJA-UHFFFAOYSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	2,2-dimethyl-hexanoic acid (CHEBI:179958) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
2,2-dimethylhexanoic acid

Manual Xrefs	Databases
143243	ChemSpider
LMFA01020150	LIPID MAPS