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

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

ChEBI ID	CHEBI:59624
ChEBI Name	(5R)-5-isopropenyl-1,2-dimethylcyclohexane 1-hydroperoxide
Stars
ASCII Name	(5R)-5-isopropenyl-1,2-dimethylcyclohexane 1-hydroperoxide
Definition	A peroxol (hydroperoxide) obtained from (−)-carvone via sequential methylenation and hydroperoxidation.
Last Modified	17 March 2017
Submitter	Steve
Downloads	Molfile

Formula	C11H20O2
Net Charge	0
Average Mass	184.279
Monoisotopic Mass	184.14633
SMILES	C=C(C)[C@@H]1CCC(C)C(C)(OO)C1
InChI	InChI=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
InChIKey	PAWAQGFGYJWLSH-HSOILSAZSA-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-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 hydroperoxide	IUPAC
(5R)-5-isopropenyl-1,2-dimethylcyclohexane-1-hydroperoxide	ChEBI

Registry Numbers	Sources
Reaxys:21053500	Reaxys

Citations