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CHEBI:145562 - 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane

ChEBI IDCHEBI:145562
ChEBI Name1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane
Stars
DefinitionAn oxabicycloalkane that is 1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-ol in which the hydroxy group is substituted by a (2-methylphenyl)methoxy group.
Last Modified3 December 2019
SubmitterAdnan
DownloadsMolfile
FormulaC18H26O2
Net Charge0
Average Mass274.404
Monoisotopic Mass274.19328
SMILESCc1ccccc1COC1CC2(C(C)C)CCC1(C)O2
InChIInChI=1S/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3
InChIKeyQMTNOLKHSWIQBE-UHFFFAOYSA-N
Roles Classification
Biological Role:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:145562) is a cineole (CHEBI:23243)
1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:145562) is a ether (CHEBI:25698)
1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:145562) is a oxabicycloalkane (CHEBI:46733)
Incoming Relation(s)
exo-(+)-cinmethylin (CHEBI:145563) is a 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:145562)
exo-(−)-cinmethylin (CHEBI:145564) is a 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:145562)
IUPAC Name 
1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane
Synonym  Source
1-methyl-2-[(2-methylphenyl)methoxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptaneIUPAC