(S)-3-hexanylhexane-2,5-dione

Properties Image MNX_ID MNXM148574 reference metacycM:CPD-17000 formula C12H22O2 global charge 0 mol weight 198.306 InChIKey NJPUBZOWBDYCLW-LBPRGKRZSA-N InChI InChI=1S/C12H22O2/c1-4-5-6-7-8-12(11(3)14)9-10(2)13/h12H,4-9H2,1-3H3/t12-/m0/s1 SMILES CCCCCC[C@@H](CC(C)=O)C(C)=O MNX internals InChI (mnx) InChI=1/C12H22O2/c1-4-5-6-7-8-12(11(3)14)9-10(2)13/h12H,4-9H2,1-3H3/t12-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][C@@H:12]([CH2:9][C:10]([CH3:2])=[O:13])[C:11]([CH3:3])=[O:14]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0