HEXADECANOIC ACID ALLYL ESTER

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Synonyms
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 HAFZJTKIBGEQKT-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCC(=O)OCC=C
InChI
InChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18-4-2/h4H,2-3,5-18H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H36O2
Molecular Weight 296.49
AlogP 7.24
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 17.0
Polar Surface Area 26.3
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 21.0
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 46.7 %
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 24.4 %
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 28.9 %
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 7.97 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 2460.0 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 0.0 %
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 6.0 %
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 32.6 %
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 66.6 %
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 72.2 %
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 87.2 %
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 CHEMBL415727
PubChem 14428911
SureChEMBL SCHEMBL370895
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