CHEBI:179746 - octyl 2-methyl-propionyl

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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 octyl 2-methyl-propionyl
ChEBI ID CHEBI:179746
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H24O2
Net Charge 0
Average Mass 200.322
Monoisotopic Mass 200.17763
InChI InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3
InChIKey PQCYCHFQWMNQRJ-UHFFFAOYSA-N
SMILES O(CCCCCCCC)C(=O)C(C)C
ChEBI Ontology
Outgoing octyl 2-methyl-propionyl (CHEBI:179746) is a carboxylic ester (CHEBI:33308)
IUPAC Name
octyl 2-methylpropanoate
Manual Xrefs Databases
54984 ChemSpider
HMDB0034137 HMDB
LMFA07010504 LIPID MAPS
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Registry Number Type Source
109-15-9 CAS Registry Number ChemIDplus