Search MNXref
 Feedback

3,5,5-Trimethyl-1,2-cyclopentanedione

PropertiesImage
MNX_IDMNXM117245 Image of MNXM117245
referencechebi:195723
formulaC8H12O2
global charge0
mol weight140.182
InChIKeyGGXVKCBZJYLSCZ-UHFFFAOYSA-N
InChIInChI=1S/C8H12O2/c1-5-4-8(2,3)7(10)6(5)9/h5H,4H2,1-3H3
SMILESCC1CC(C)(C)C(=O)C1=O
MNX internals
InChI (mnx)InChI=1/C8H12O2/c1-5-4-8(2,3)7(10)6(5)9/h5H,4H2,1-3H3/t5? Image of MNXM117245
SMILES (mnx)[CH3:1][CH:5]1[CH2:4][C:8]([CH3:2])([CH3:3])[C:7](=[O:10])[C:6]1=[O:9]
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:195723
chebi:195723
GGXVKCBZJYLSCZ-UHFFFAOYSA-N 		3,5,5-Trimethyl-1,2-cyclopentanedione
3,3,5-trimethylcyclopentane-1,2-dione
hmdb:HMDB0039680
GGXVKCBZJYLSCZ-UHFFFAOYSA-N 		3,5,5-Trimethyl-1,2-cyclopentanedione
2-Hydroxy-3,5,5-trimethyl-2-cyclo-pentenone
2-Hydroxy-3,5,5-trimethyl-2-cyclopenten-1-one, 9ci
3,3,5-trimethylcyclopentane-1,2-dione

hmdb:HMDB39680 		secondary/obsolete/fantasy identifier