Responsive image

Common name


spiromesifen

IUPAC name


2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate

SMILES


Cc1cc(C)c(c(C)c1)C1=C(C2(CCCC2)OC1=O)OC(=O)CC(C)(C)C

Compound class


Insecticide

Therapeutic area


Insecticide

Common name


spiromesifen

IUPAC name


2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate

SMILES


Cc1cc(C)c(c(C)c1)C1=C(C2(CCCC2)OC1=O)OC(=O)CC(C)(C)C

INCHI


InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3

FORMULA


C23H30O4

Responsive image

Common name


spiromesifen

IUPAC name


2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate

Molecular weight


370.482

clogP


6.049

clogS


-6.312

HBond Acceptor


4

HBond Donor


0

Total Polar
Surface Area


52.6

Number of Rings


3

Rotatable Bond


5

Drug ID Common name Structure CAS SMILE Frequency
FDBF00012 isobutane Responsive image C(C)(C)C 0.0611
FDBF00810 neopentane Responsive image CC(C)(C)C 0.0031
2 , 1