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5-Methyl-5-hepten-2-one

PropertiesImage
MNX_IDMNXM118274 Image of MNXM118274
referencechebi:172022
formulaC8H14O
global charge0
mol weight126.199
InChIKeyUBAUYTYZPNZXIM-DAXSKMNVSA-N
InChIInChI=1S/C8H14O/c1-4-7(2)5-6-8(3)9/h4H,5-6H2,1-3H3/b7-4-
SMILESC/C=C(/C)CCC(C)=O
MNX internals
InChI (mnx)InChI=1/C8H14O/c1-4-7(2)5-6-8(3)9/h4H,5-6H2,1-3H3/b7-4- Image of MNXM118274
SMILES (mnx)[CH3:1]/[CH:4]=[C:7](/[CH3:2])[CH2:5][CH2:6][C:8]([CH3:3])=[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:172022
chebi:172022
UBAUYTYZPNZXIM-DAXSKMNVSA-N
5-Methyl-5-hepten-2-one
(Z)-5-methylhept-5-en-2-one
hmdb:HMDB0031591
UBAUYTYZPNZXIM-DAXSKMNVSA-N
5-Methyl-5-hepten-2-one
(5Z)-5-methylhept-5-en-2-one

hmdb:HMDB31591
secondary/obsolete/fantasy identifier