Z-3-Dodecenyl E-Crotonate - CAS 104086-73-9
Catalog: |
BB066602 |
Product Name: |
Z-3-Dodecenyl E-Crotonate |
CAS: |
104086-73-9 |
Synonyms: |
(2E)-2-Butenoic Acid (3Z)-3-Dodecenyl Ester; (E,Z)-2-Butenoic Acid 3-dodecenyl Ester; Z-3-Dodecenyl E-2-butenoate; Z-3-Dodecenyl E-Crotonate |
IUPAC Name: | [(E)-dodec-3-enyl] (Z)-but-2-enoate |
Description: | Z-3-Dodecenyl E-Crotonate can be used to develop insecticides and sex pheromone trap against Sweetpotato weevil. |
Molecular Weight: | 252.39 |
Molecular Formula: | C16H28O2 |
Canonical SMILES: | CCCCCCCCC=CCCOC(=O)C=CC |
InChI: | InChI=1S/C16H28O2/c1-3-5-6-7-8-9-10-11-12-13-15-18-16(17)14-4-2/h4,11-12,14H,3,5-10,13,15H2,1-2H3/b12-11+,14-4- |
InChI Key: | VPVYOJQBLAZGEP-FJAAXBCVSA-N |
References: | Reddy, G. V., et al.: Environ Entomol 43, 767 (2014); McQuate, G. T. Sci Rep 4, 4499 (2014). |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 2 |
Exact Mass: | 252.208930132 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.208930132 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6 |
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