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2,4-dimethyl-3-pentanone

PropertiesImage
MNX_IDMNXM116405 Image of MNXM116405
referencechebi:87754
formulaC7H14O
global charge0
mol weight114.188
InChIKeyHXVNBWAKAOHACI-UHFFFAOYSA-N
InChIInChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3
SMILESCC(C)C(=O)C(C)C
MNX internals
InChI (mnx)InChI=1/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3 Image of MNXM116405
SMILES (mnx)[CH3:1][CH:5]([CH3:2])[C:7]([CH:6]([CH3:3])[CH3:4])=[O:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87754
chebi:87754
HXVNBWAKAOHACI-UHFFFAOYSA-N 		2,4-dimethyl-3-pentanone
2,4-dimethylpentan-3-one
hmdb:HMDB0031429
HXVNBWAKAOHACI-UHFFFAOYSA-N 		2,4-Dimethyl-3-pentanone
(Iso-C3H7)2co
2, 4-Dimethyl-3-pentanone
2,4-Dimethyl-3-pentanone (diisopropyl ketone)
2,4-Dimethylpentan-3-one
2,4-dimethyl-3-pentanone
2,4-dimethylpentan-3-one
3-PENTANONE,2,4-dimethyl
DIIsopropylketone
Diisopropyl ketone
Isobutyrone
Isopropyl ketone

sabiork.compound:30598
sabiorkM:30598
HXVNBWAKAOHACI-UHFFFAOYSA-N 		2,4-Dimethyl-3-pentanone
Dimethylpentan-3-one

envipath:...3828e633d0f7
envipathM:...3828e633d0f7
HXVNBWAKAOHACI-UHFFFAOYSA-N 		compound 0286224

hmdb:HMDB31429 		secondary/obsolete/fantasy identifier