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

Default Structure
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:
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.
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.
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