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CHEBI:179602 - 3,5,5-Trimethylhexanal

ChEBI IDCHEBI:179602
ChEBI Name3,5,5-Trimethylhexanal
Stars
Last Modified7 June 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H18O
Net Charge0
Average Mass142.242
Monoisotopic Mass142.13577
SMILESCC(CC=O)CC(C)(C)C
InChIInChI=1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3
InChIKeyWTPYRCJDOZVZON-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,5,5-Trimethylhexanal (CHEBI:179602) is a saturated fatty aldehyde (CHEBI:133249)
IUPAC Name 
3,5,5-trimethylhexanal
Manual XrefsDatabases
HMDB0031730HMDB
20276ChemSpider
Registry NumbersSources
CAS:5435-64-3ChemIDplus