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7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-one

PropertiesImage
MNX_IDMNXM118573 Image of MNXM118573
referencechebi:197219
formulaC12H18O
global charge0
mol weight178.275
InChIKeyJGWYWWRNBCMLOE-UHFFFAOYSA-N
InChIInChI=1S/C12H18O/c1-7(2)10-5-9-6-12(13)11(10)4-8(9)3/h4,7,9-11H,5-6H2,1-3H3
SMILESCC1=CC2C(=O)CC1CC2C(C)C
MNX internals
InChI (mnx)InChI=1/C12H18O/c1-7(2)10-5-9-6-12(13)11(10)4-8(9)3/h4,7,9-11H,5-6H2,1-3H3/t9?,10?,11? Image of MNXM118573
SMILES (mnx)[CH3:1][CH:7]([CH3:2])[CH:10]1[CH2:5][CH:9]2[CH2:6][C:12](=[O:13])[CH:11]1[CH:4]=[C:8]2[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:197219
chebi:197219
JGWYWWRNBCMLOE-UHFFFAOYSA-N 		7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-one
5-methyl-7-propan-2-ylbicyclo[2.2.2]oct-5-en-2-one
hmdb:HMDB0036681
JGWYWWRNBCMLOE-UHFFFAOYSA-N 		7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-one
5-methyl-7-(propan-2-yl)bicyclo[2.2.2]oct-5-en-2-one
7-isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-one

hmdb:HMDB36681 		secondary/obsolete/fantasy identifier