ALLYL BUTANOATE

/static/temp/default.svg Search structure
UNII DH3T4NN0KO
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 RMZIOVJHUJAAEY-UHFFFAOYSA-N
Smiles CCCC(=O)OCC=C
InChI
InChI=1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H12O2
Molecular Weight 128.17
AlogP 1.76
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 26.3
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 9.0
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 10.0 %
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 14.4 %
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 75.6 %
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 3.2 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 1060.0 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 6.0 %
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 20.5 %
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 42.7 %
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 72.0 %
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 83.3 %
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 98.7 %
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 100.0 %
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 CHEMBL2229584
FDA SRS DH3T4NN0KO
SureChEMBL SCHEMBL263508
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