CHEBI:156542 - 2-methylbutyl hexanoate

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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-methylbutyl hexanoate
ChEBI ID CHEBI:156542
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C11H22O2
Net Charge 0
Average Mass 186.295
Monoisotopic Mass 186.16198
InChI InChI=1S/C11H22O2/c1-4-6-7-8-11(12)13-9-10(3)5-2/h10H,4-9H2,1-3H3
InChIKey ZWMQVDONBUJJLL-UHFFFAOYSA-N
SMILES CCC(COC(CCCCC)=O)C
ChEBI Ontology
Outgoing 2-methylbutyl hexanoate (CHEBI:156542) has functional parent 2-methylbutan-1-ol (CHEBI:48945)
2-methylbutyl hexanoate (CHEBI:156542) is a hexanoate ester (CHEBI:87656)
Synonym Source
2-methylbutyl hexanoate UniProt
Citation Waiting for Citations Type Source
15955071 PubMed citation SUBMITTER