16-Methylheptadecyl isobutyrate

Properties Image MNX_ID MNXM100195 reference chebi:196297 formula C22H44O2 global charge 0 mol weight 340.592 InChIKey UDUFLHCKDCVNHC-UHFFFAOYSA-N InChI InChI=1S/C22H44O2/c1-20(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-24-22(23)21(3)4/h20-21H,5-19H2,1-4H3 SMILES CC(C)CCCCCCCCCCCCCCCOC(=O)C(C)C MNX internals InChI (mnx) InChI=1/C22H44O2/c1-20(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-24-22(23)21(3)4/h20-21H,5-19H2,1-4H3 SMILES (mnx) [CH3:1][CH:20]([CH3:2])[CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][O:24][C:22]([CH:21]([CH3:3])[CH3:4])=[O:23]

Parent-child relations graph

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