Synonyms
AKOS016011786; 8889AA; KS-00000R6L; ZINC100048029; 4CH-024818; SC-45444; DTXSID20627859; MFCD01862890; CS-W022266; 5,5-Dimethyl-2-(3-methylbutyryl)-1,3-cyclohexanedione;
IUPAC Name
5,5-dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione;
Molecular Weight
224.3g/mol
Molecular Formula
C13H20O3;
Canonical SMILES
CC(C)CC(=O)C1C(=O)CC(CC1=O)(C)C;
InChI
InChI=1S/C13H20O3/c1-8(2)5-9(14)12-10(15)6-13(3,4)7-11(12)16/h8,12H,5-7H2,1-4H3;
InChI Key
HNPWTDUZIXAJSA-UHFFFAOYSA-N;
Complexity
306
Covalently-Bonded Unit Count
1
Exact Mass
224.141g/mol
H-Bond Acceptor
3
Heavy Atom Count
16
Monoisotopic Mass
224.141g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
51.2A^2
