6-isopentyl-9-methyl-5-decenoic acid (CHEBI:179831)

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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	6-isopentyl-9-methyl-5-decenoic acid

ChEBI ID	CHEBI:179831

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H30O2

Net Charge

Average Mass

254.414

Monoisotopic Mass

254.22458

InChI

InChI=1S/C16H30O2/c1-13(2)9-11-15(12-10-14(3)4)7-5-6-8-16(17)18/h7,13-14H,5-6,8-12H2,1-4H3,(H,17,18)

InChIKey

KELKYPRDCHFVOX-UHFFFAOYSA-N

SMILES

OC(=O)CCCC=C(CCC(C)C)CCC(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	6-isopentyl-9-methyl-5-decenoic acid (CHEBI:179831) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name

9-methyl-6-(3-methylbutyl)dec-5-enoic acid