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CHEBI:59623 - (5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide

ChEBI IDCHEBI:59623
ChEBI Name(5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide
Stars
ASCII Name(5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide
DefinitionA peroxol (hydroperoxide) derived from (R)-limonene.
Last Modified17 March 2017
SubmitterSteve
DownloadsMolfile
FormulaC10H18O2
Net Charge0
Average Mass170.252
Monoisotopic Mass170.13068
SMILESC=C(C)[C@@H]1CCC(C)C(OO)C1
InChIInChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)10(6-9)12-11/h8-11H,1,4-6H2,2-3H3/t8?,9-,10?/m1/s1
InChIKeyLCPSGOHUUMKVEZ-HWOCKDDLSA-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)
(5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide (CHEBI:59623) has parent hydride (4R)-limonene (CHEBI:15382)
(5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide (CHEBI:59623) has role allergen (CHEBI:50904)
(5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide (CHEBI:59623) has role hapten (CHEBI:59174)
(5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide (CHEBI:59623) is a peroxol (CHEBI:35924)
IUPAC Name 
(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexane-1-peroxol
Synonyms  Source
(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexyl hydroperoxideIUPAC
(5R)-5-isopropenyl-2-methylcyclohexane-1-hydroperoxideChEBI
Registry NumbersSources
Reaxys:21053497Reaxys
Citations