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3-Methylheptan-4-one

PropertiesImage
MNX_IDMNXM100620 Image of MNXM100620
referencechebi:195862
formulaC8H16O
global charge0
mol weight128.215
InChIKeyNHIMSNHOEAVUKE-UHFFFAOYSA-N
InChIInChI=1S/C8H16O/c1-4-6-8(9)7(3)5-2/h7H,4-6H2,1-3H3
SMILESCCCC(=O)C(C)CC
MNX internals
InChI (mnx)InChI=1/C8H16O/c1-4-6-8(9)7(3)5-2/h7H,4-6H2,1-3H3/t7? Image of MNXM100620
SMILES (mnx)[CH3:1][CH2:4][CH2:6][C:8]([CH:7]([CH3:3])[CH2:5][CH3:2])=[O:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:195862
chebi:195862
NHIMSNHOEAVUKE-UHFFFAOYSA-N
3-Methylheptan-4-one
3-methylheptan-4-one

sabiork.compound:30065
sabiorkM:30065
NHIMSNHOEAVUKE-UHFFFAOYSA-N
3-Methylheptan-4-one
3-Methyl-4-heptanone

lipidmaps:LMFA12000026
lipidmapsM:LMFA12000026
NHIMSNHOEAVUKE-UHFFFAOYSA-N
3-Methylheptan-4-one
3-Methylheptan-4-one