CHEBI:179379 - Heptyl 2-methylpropanoate

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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 Heptyl 2-methylpropanoate
ChEBI ID CHEBI:179379
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C11H22O2
Net Charge 0
Average Mass 186.295
Monoisotopic Mass 186.16198
InChI InChI=1S/C11H22O2/c1-4-5-6-7-8-9-13-11(12)10(2)3/h10H,4-9H2,1-3H3
InChIKey RFDUMBPGZUIKOG-UHFFFAOYSA-N
SMILES O(CCCCCCC)C(=O)C(C)C
ChEBI Ontology
Outgoing Heptyl 2-methylpropanoate (CHEBI:179379) is a carboxylic ester (CHEBI:33308)
IUPAC Name
heptyl 2-methylpropanoate
Manual Xrefs Databases
55243 ChemSpider
HMDB0040171 HMDB
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Registry Number Type Source
2349-13-5 CAS Registry Number ChemIDplus