CHEBI:179553 - Hexyl 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 Hexyl 2-methylpropanoate
ChEBI ID CHEBI:179553
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C10H20O2
Net Charge 0
Average Mass 172.268
Monoisotopic Mass 172.14633
InChI InChI=1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3
InChIKey CYHBDKTZDLSRMY-UHFFFAOYSA-N
SMILES O(CCCCCC)C(=O)C(C)C
ChEBI Ontology
Outgoing Hexyl 2-methylpropanoate (CHEBI:179553) is a carboxylic ester (CHEBI:33308)
IUPAC Name
hexyl 2-methylpropanoate
Manual Xrefs Databases
15988 ChemSpider
HMDB0037849 HMDB
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Registry Number Type Source
2349-07-7 CAS Registry Number ChemIDplus