3,7-Dimethyl-2-octenoic acid (CHEBI:165359)

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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	3,7-Dimethyl-2-octenoic acid

ChEBI ID	CHEBI:165359

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H18O2

Net Charge

Average Mass

170.252

Monoisotopic Mass

170.13068

InChI

InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)/b9-7+

InChIKey

BQQFWOQXMICUGN-VQHVLOKHSA-N

SMILES

OC(=O)\C=C(\CCCC(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	3,7-Dimethyl-2-octenoic acid (CHEBI:165359) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name

(E)-3,7-dimethyloct-2-enoic acid