4-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanone

Properties Image MNX_ID MNXM117795 reference chebi:168208 formula C13H24O2 global charge 0 mol weight 212.333 InChIKey QIHMBTNCJUFMCE-UHFFFAOYSA-N InChI InChI=1S/C13H24O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h9-10,12,14H,5-8H2,1-4H3 SMILES CC(O)CCC1C(C)CC(=O)CC1(C)C MNX internals InChI (mnx) InChI=1/C13H24O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h9-10,12,14H,5-8H2,1-4H3/t9?,10?,12? SMILES (mnx) [CH3:1][CH:9]1[CH2:7][C:11](=[O:15])[CH2:8][C:13]([CH3:3])([CH3:4])[CH:12]1[CH2:6][CH2:5][CH:10]([CH3:2])[OH:14]

Parent-child relations graph

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