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

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ChEBI Name	(5R)-5-isopropenyl-1,2-dimethylcyclohexane 1-hydroperoxide

ChEBI ID	CHEBI:59624

ChEBI ASCII Name	(5R)-5-isopropenyl-1,2-dimethylcyclohexane 1-hydroperoxide

Definition	A peroxol (hydroperoxide) obtained from (−)-carvone via sequential methylenation and hydroperoxidation.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C11H20O2

Net Charge

Average Mass

184.27530

Monoisotopic Mass

184.14633

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

SMILES

CC1CC[C@H](CC1(C)OO)C(C)=C

Roles Classification
Biological Role(s):	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	(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	Sources
(5R)-1,2-dimethyl-5-(prop-1-en-2-yl)cyclohexyl hydroperoxide	IUPAC
(5R)-5-isopropenyl-1,2-dimethylcyclohexane-1-hydroperoxide	ChEBI

Registry Number	Type	Source
21053500	Reaxys Registry Number	Reaxys

Citation	Type	Source
20163165	PubMed citation	Europe PMC

Last Modified

17 March 2017