Structure Database (LMSD)

O O
Common Name
(Z,E)-9,12-Tetradecadienyl propionate
Systematic Name
(Z,E)-9,12-Tetradecadienyl propionate
Synonyms
  • WE(14:2(9Z,12E)/3:0)
LM ID
LMFA07010555
Formula
C17H30O2
Exact Mass
Calculate m/z
266.22458
Sum Composition
SFE 17:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
LVTGIELJZNLASI-AXDYLVROSA-N
InChi (Click to copy)
InChI=1S/C17H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h3,5,7-8H,4,6,9-16H2,1-2H3/b5-3+,8-7-
SMILES (Click to copy)
O=C(CC)OCCCCCCCC/C=C\C/C=C/C

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
56935993

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 312.32
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.48
Molar Refractivity 82.63

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Created at
-
Updated at
6th Jun 2022