CHEBI:173385 - 2-Methyl-2-pentenoic acid

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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-Methyl-2-pentenoic acid
ChEBI ID CHEBI:173385
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information eMolecules:592066, ZINC000004557048
Download Molfile XML SDF
Formula C6H10O2
Net Charge 0
Average Mass 114.144
Monoisotopic Mass 114.06808
InChI InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+
InChIKey JJYWRQLLQAKNAD-SNAWJCMRSA-N
SMILES OC(=O)\C(=C\CC)\C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-Methyl-2-pentenoic acid (CHEBI:173385) is a methyl-branched fatty acid (CHEBI:62499)
2-Methyl-2-pentenoic acid (CHEBI:173385) is conjugate acid of 2-methyl-(2E)-pentenoate(1−) (CHEBI:192252)
Incoming 2-methyl-(2E)-pentenoate(1−) (CHEBI:192252) is conjugate base of 2-Methyl-2-pentenoic acid (CHEBI:173385)
IUPAC Name
(E)-2-methylpent-2-enoic acid
Manual Xref Database
4517851 ChemSpider
View more database links
Registry Number Type Source
3142-72-1 CAS Registry Number ChemIDplus