ALLYL DODECANOATE

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Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key ZQMAPKVSTSACQB-UHFFFAOYSA-N
Smiles CCCCCCCCCCCC(=O)OCC=C
InChI
InChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-15(16)17-14-4-2/h4H,2-3,5-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H28O2
Molecular Weight 240.38
AlogP 5.41
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 13.0
Polar Surface Area 26.3
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 17.0
Assay Description Organism Bioactivity Reference
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as increase in duration of the development of eggs applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella None
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as mortality at the stage of black head development at 10 mg/ml applied as 0.1 ul drop solution topically measured for 3 days (acetone Rvb = 94.4 +/-0.1%) Cydia pomonella 18.9 %
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as mortality at the stage of red ring development at 10 mg/ml applied as 0.1 ul drop solution topically measured for 3 days (acetone Rvb = 4.4 +/-0.22%) Cydia pomonella 12.2 %
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as mortality at the stage of white head development at 10 mg/ml applied as 0.1 ul drop solution topically measured for 3 days (acetone Rvb = 1.1 +/-0.44%) Cydia pomonella 68.9 %
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as mortality applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella 2.34 mg/ml Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as mortality applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella 1140.0 ug.mL-1
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as corrected mortality at 0.1 mg/ml applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella 0.0 %
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as corrected mortality at 0.5 mg/ml applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella 10.0 %
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as corrected mortality at 1 mg/ml applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella 36.4 %
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as corrected mortality at 1.75 mg/ml applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella 71.7 %
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as corrected mortality at 2.5 mg/ml applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella 95.9 %
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as corrected mortality at 5 mg/ml applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella 96.5 %
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as corrected mortality at 7.5 mg/ml applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella 98.8 %
Ovicidal activity against <24 hr-old Cydia pomonella (codling moth) eggs assessed as corrected mortality at 10 mg/ml applied as 0.1 ul drop solution topically measured for 3 days Cydia pomonella 100.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2229588
PubChem 95150
SureChEMBL SCHEMBL248452
CONTENTS