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CHEBI:59627 - 4-isopropyl-1-methylcyclohexane 1-hydroperoxide

ChEBI IDCHEBI:59627
ChEBI Name4-isopropyl-1-methylcyclohexane 1-hydroperoxide
Stars
DefinitionA peroxol (hydroperoxide) that is the 1-hydroperoxy derivative of p-menthane.
Last Modified17 March 2017
SubmitterSteve
DownloadsMolfile
FormulaC10H20O2
Net Charge0
Average Mass172.268
Monoisotopic Mass172.14633
SMILESCC(C)C1CCC(C)(OO)CC1
InChIInChI=1S/C10H20O2/c1-8(2)9-4-6-10(3,12-11)7-5-9/h8-9,11H,4-7H2,1-3H3
InChIKeySGYLMBSLEMLUSN-UHFFFAOYSA-N
Roles Classification
Biological Roles:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
ChEBI Ontology
Outgoing Relation(s)
4-isopropyl-1-methylcyclohexane 1-hydroperoxide (CHEBI:59627) has parent hydride p-menthane (CHEBI:25826)
4-isopropyl-1-methylcyclohexane 1-hydroperoxide (CHEBI:59627) has role allergen (CHEBI:50904)
4-isopropyl-1-methylcyclohexane 1-hydroperoxide (CHEBI:59627) has role hapten (CHEBI:59174)
4-isopropyl-1-methylcyclohexane 1-hydroperoxide (CHEBI:59627) is a peroxol (CHEBI:35924)
IUPAC Name 
4-propan-2-yl-1-methylcyclohexyl hydroperoxide
Synonyms  Source
1-methyl-4-(1-methylethyl)cyclohexyl hydroperoxideChEBI
4-isopropyl-1-methylcyclohexane-1-hydroperoxideChEBI
Citations