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CHEBI:87320 - ethyl 3,3,4-trimethylpentanoate

ChEBI IDCHEBI:87320
ChEBI Nameethyl 3,3,4-trimethylpentanoate
Stars
DefinitionA carboxylic ester obtained by the formal condensation of the carboxy group of 3,3,4-trimethylpentanoic acid with ethanol.
Last Modified6 September 2021
Submitternamrata
DownloadsMolfile
FormulaC10H20O2
Net Charge0
Average Mass172.268
Monoisotopic Mass172.14633
SMILESCCOC(=O)CC(C)(C)C(C)C
InChIInChI=1S/C10H20O2/c1-6-12-9(11)7-10(4,5)8(2)3/h8H,6-7H2,1-5H3
InChIKeySVZSYBFQSHHBQJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
ethyl 3,3,4-trimethylpentanoate (CHEBI:87320) has role metabolite (CHEBI:25212)
ethyl 3,3,4-trimethylpentanoate (CHEBI:87320) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
ethyl 3,3,4-trimethylpentanoate
Synonym  Source
3,3,4-trimethyl-pentanoic acid ethyl esterChEBI
Registry NumbersSources
Reaxys:4243035Reaxys