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(E, E) -9,11-Tetradecadienyl acetate

CAT: 0931-TN7932-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7932-01Size:10 mg
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CAS Number
54664-98-1
Bioactivity
(E, E) -9,11-Tetradecadienyl acetate has been identified as a female sex pheromone isolated from products of light-induced isomerization in female coastal noctuid moths.
Smiles
C(CCCC/C=C/C=C/CC)CCCOC(C)=O
Molecular Formula
C16H28O2
Molecular Weight
252.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(E,E)-tetradeca-9,11-dienyl acetate

9E,11-Tetradecadienyl acetate is a carboxylic ester.

CAS Number54664-98-1
PubChem CID6115849
IUPAC Name[(9E,11E)-tetradeca-9,11-dienyl] acetate
Molecular FormulaC16H28O2
Molecular Weight252.39
XLogP5.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count18
Formal Charge0
Complexity241
SMILES
CC/C=C/C=C/CCCCCCCCOC(=O)C
InChI
InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3/b5-4+,7-6+
InChIKey
RFEQLTBBKNKGGJ-YTXTXJHMSA-N
Chemical Structure
2D Structure
2D structure of (E,E)-tetradeca-9,11-dienyl acetate
CAS: 54664-98-1
CID: 6115849
Formula: C16H28O2
MW: 252.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.39
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass252.208930132
Monoisotopic Mass252.208930132
Topological Polar Surface Area26.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-W753500(E, E) -9,11-Tetradecadienyl acetate
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