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CHEBI:88554 - 3-(2-methylpropyl)cyclohexene

ChEBI IDCHEBI:88554
ChEBI Name3-(2-methylpropyl)cyclohexene
Stars
DefinitionA member of the class of cycloalkenes that is cyclohexene substituted by a 2-methylpropyl group at position 3.
Last Modified12 November 2020
DownloadsMolfile
FormulaC10H18
Net Charge0
Average Mass138.254
Monoisotopic Mass138.14085
SMILESCC(C)CC1C=CCCC1
InChIInChI=1S/C10H18/c1-9(2)8-10-6-4-3-5-7-10/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKeyNVLNRIBMCIJLQD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) saliva (UBERON:0001836) PubMed (24421258)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-(2-methylpropyl)cyclohexene (CHEBI:88554) has role human metabolite (CHEBI:77746)
3-(2-methylpropyl)cyclohexene (CHEBI:88554) is a cycloalkene (CHEBI:33643)
IUPAC Name 
3-(2-methylpropyl)cyclohexene
Synonyms  Source
3-(2-methylpropyl)cyclohex-1-eneIUPAC
3-(2-methylpropyl)-cyclohexeneChEBI
3-(2-methylpropyl)-1-cyclohexeneChEBI
3-isobutyl-1-cyclohexeneNIST Chemistry WebBook
3-isobutylcyclohex-1-eneChEBI
3-isobutylcyclohexene-1NIST Chemistry WebBook
Manual XrefsDatabases
HMDB0061801HMDB
18896ChemSpider
Registry NumbersSources
CAS:4104-56-7ChemIDplus
CAS:4104-56-7NIST Chemistry WebBook
Citations