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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-isopropyl-1-methylcyclohexane 1-hydroperoxide
ChEBI ID CHEBI:59627
Definition A peroxol (hydroperoxide) that is the 1-hydroperoxy derivative of p-menthane.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H20O2
Net Charge 0
Average Mass 172.26460
Monoisotopic Mass 172.14633
InChI InChI=1S/C10H20O2/c1-8(2)9-4-6-10(3,12-11)7-5-9/h8-9,11H,4-7H2,1-3H3
InChIKey SGYLMBSLEMLUSN-UHFFFAOYSA-N
SMILES CC(C)C1CCC(C)(CC1)OO
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1-methyl-4-(1-methylethyl)cyclohexyl hydroperoxide ChEBI
4-isopropyl-1-methylcyclohexane-1-hydroperoxide ChEBI
Citation Waiting for Citations Type Source
20163165 PubMed citation Europe PMC
Last Modified
17 March 2017