3-tert-Butyl-3-butenoic acid (CHEBI:165365)

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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	3-tert-Butyl-3-butenoic acid

ChEBI ID	CHEBI:165365

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/c1-6(5-7(9)10)8(2,3)4/h1,5H2,2-4H3,(H,9,10)

InChIKey

FDWQCFNUKWFHGX-UHFFFAOYSA-N

SMILES

OC(=O)CC(C(C)(C)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	3-tert-Butyl-3-butenoic acid (CHEBI:165365) is a methyl-branched fatty acid (CHEBI:62499)

IUPAC Name

4,4-dimethyl-3-methylidenepentanoic acid