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CHEBI:59624 - (5R)-5-isopropenyl-1,2-dimethylcyclohexane 1-hydroperoxide

ChEBI IDCHEBI:59624
ChEBI Name(5R)-5-isopropenyl-1,2-dimethylcyclohexane 1-hydroperoxide
Stars
ASCII Name(5R)-5-isopropenyl-1,2-dimethylcyclohexane 1-hydroperoxide
DefinitionA peroxol (hydroperoxide) obtained from (−)-carvone via sequential methylenation and hydroperoxidation.
Last Modified17 March 2017
SubmitterSteve
DownloadsMolfile
FormulaC11H20O2
Net Charge0
Average Mass184.279
Monoisotopic Mass184.14633
SMILESC=C(C)[C@@H]1CCC(C)C(C)(OO)C1
InChIInChI=1S/C11H20O2/c1-8(2)10-6-5-9(3)11(4,7-10)13-12/h9-10,12H,1,5-7H2,2-4H3/t9?,10-,11?/m1/s1
InChIKeyPAWAQGFGYJWLSH-HSOILSAZSA-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)
(5R)-5-isopropenyl-1,2-dimethylcyclohexane 1-hydroperoxide (CHEBI:59624) has functional parent (−)-carvone (CHEBI:15400)
(5R)-5-isopropenyl-1,2-dimethylcyclohexane 1-hydroperoxide (CHEBI:59624) has role allergen (CHEBI:50904)
(5R)-5-isopropenyl-1,2-dimethylcyclohexane 1-hydroperoxide (CHEBI:59624) has role hapten (CHEBI:59174)
(5R)-5-isopropenyl-1,2-dimethylcyclohexane 1-hydroperoxide (CHEBI:59624) is a peroxol (CHEBI:35924)
IUPAC Name 
(5R)-1,2-dimethyl-5-(prop-1-en-2-yl)cyclohexane-1-peroxol
Synonyms  Source
(5R)-1,2-dimethyl-5-(prop-1-en-2-yl)cyclohexyl hydroperoxideIUPAC
(5R)-5-isopropenyl-1,2-dimethylcyclohexane-1-hydroperoxideChEBI
Registry NumbersSources
Reaxys:21053500Reaxys
Citations