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3,4,4-Trimethyl-1,2-cyclopentanedione

PropertiesImage
MNX_IDMNXM117212 Image of MNXM117212
referencechebi:195719
formulaC8H12O2
global charge0
mol weight140.182
InChIKeyLTRJTLUJZFBIEN-UHFFFAOYSA-N
InChIInChI=1S/C8H12O2/c1-5-7(10)6(9)4-8(5,2)3/h10H,4H2,1-3H3
SMILESCC1=C(O)C(=O)CC1(C)C
MNX internals
InChI (mnx)InChI=1/C8H12O2/c1-5-7(10)6(9)4-8(5,2)3/h10H,4H2,1-3H3 Image of MNXM117212
SMILES (mnx)[CH3:1][C:5]1=[C:7]([OH:10])[C:6](=[O:9])[CH2:4][C:8]1([CH3:2])[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:195719
chebi:195719
LTRJTLUJZFBIEN-UHFFFAOYSA-N 		3,4,4-Trimethyl-1,2-cyclopentanedione
2-hydroxy-3,4,4-trimethylcyclopent-2-en-1-one
hmdb:HMDB0040526
LTRJTLUJZFBIEN-UHFFFAOYSA-N 		3,4,4-Trimethyl-1,2-cyclopentanedione
2-Hydroxy-3,4,4-trimethyl-2-cyclopenten-1-one
2-hydroxy-3,4,4-trimethylcyclopent-2-en-1-one

hmdb:HMDB40526 		secondary/obsolete/fantasy identifier