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(E) -8-Dodecenyl acetate

CAT: 0931-T85314-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T85314-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
38363-29-0
Target
Others
Related Pathways
Others
Purity
0.9984
Bioactivity
(E) -8-Dodecenyl acetate, a pear fruit borer pheromone, is a sexual attractant that disrupts pest mating.
Smiles
C(CCC/C=C/CCC)CCCOC(C)=O
Molecular Formula
C14H26O2
Molecular Weight
226.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

8-Dodecenyl acetate, (8E)-

8E-Dodecenyl acetate is a carboxylic ester.

CAS Number38363-29-0
PubChem CID5363237
IUPAC Name[(E)-dodec-8-enyl] acetate
Molecular FormulaC14H26O2
Molecular Weight226.35
XLogP4.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Heavy Atom Count16
Formal Charge0
Complexity185
SMILES
CCC/C=C/CCCCCCCOC(=O)C
InChI
InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h5-6H,3-4,7-13H2,1-2H3/b6-5+
InChIKey
SUCYDSJQVVGOIW-AATRIKPKSA-N
Chemical Structure
2D Structure
2D structure of 8-Dodecenyl acetate, (8E)-
CAS: 38363-29-0
CID: 5363237
Formula: C14H26O2
MW: 226.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.35
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Exact Mass226.193280068
Monoisotopic Mass226.193280068
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity185
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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