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CHEBI:27049 - (2E)-5-isopropyl-2-methylhexa-2,5-dienal

Default Structure
ChEBI IDCHEBI:27049
ChEBI Name(2E)-5-isopropyl-2-methylhexa-2,5-dienal
Stars
ASCII Name(2E)-5-isopropyl-2-methylhexa-2,5-dienal
DefinitionA hexadienal that is hexa-2,5-dienal substituted by a an isopropyl group at position 5 and a methy group at position 2 (the 2E-stereoisomer).
Secondary ChEBI IDCHEBI:29740
Last Modified23 April 2015
DownloadsMolfile
FormulaC10H16O
Net Charge0
Average Mass152.237
Monoisotopic Mass152.12012
SMILESC=C(C/C=C(\C)C=O)C(C)C
InChIInChI=1S/C10H16O/c1-8(2)10(4)6-5-9(3)7-11/h5,7-8H,4,6H2,1-3H3/b9-5+
InChIKeyKDMDLRXLBMMBSU-WEVVVXLNSA-N
ChEBI Ontology
Outgoing Relation(s)
(2E)-5-isopropyl-2-methylhexa-2,5-dienal (CHEBI:27049) is a hexadienal (CHEBI:24551)
Synonym  Source
trans-2-Methyl-5-isopropylhexa-2,5-dienalKEGG COMPOUND
Manual XrefsDatabases
C11942KEGG COMPOUND
Registry NumbersSources
Reaxys:13191996Reaxys
CAS:112077-94-8KEGG COMPOUND