7-Hexyl-2-oxepanone

Properties Image MNX_ID MNXM118541 reference chebi:171843 formula C12H22O2 global charge 0 mol weight 198.306 InChIKey FRTMRFCNTDDSOB-UHFFFAOYSA-N InChI InChI=1S/C12H22O2/c1-2-3-4-5-8-11-9-6-7-10-12(13)14-11/h11H,2-10H2,1H3 SMILES CCCCCCC1CCCCC(=O)O1 MNX internals InChI (mnx) InChI=1/C12H22O2/c1-2-3-4-5-8-11-9-6-7-10-12(13)14-11/h11H,2-10H2,1H3/t11? SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:8][CH:11]1[CH2:9][CH2:6][CH2:7][CH2:10][C:12](=[O:13])[O:14]1

Parent-child relations graph

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