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

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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	2,2-dimethyl-hexanoic acid

ChEBI ID	CHEBI:179958

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H16O2

Net Charge

Average Mass

144.214

Monoisotopic Mass

144.11503

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

SMILES

OC(=O)C(CCCC)(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	2,2-dimethyl-hexanoic acid (CHEBI:179958) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name

2,2-dimethylhexanoic acid