Structure Database (LMSD)

Common Name
SFE 12:2(5Z,7E)/3:0
Systematic Name
5Z,7E-Dodecadienyl propionate
Synonyms
  • WE(12:2(5Z,7E)/3:0)
LM ID
LMFA07010538
Formula
C15H26O2
Exact Mass
Calculate m/z
238.19328
Sum Composition
SFE 15:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Dendrolimus superans (#420590)
Insecta (#50557)
Identification of sex pheromones of four economically important species in genus Dendrolimus,
Chinese Science Bulletin, 2001

String Representations

InChiKey (Click to copy)
FDPOUOBXISIHOH-GOJKSUSPSA-N
InChi (Click to copy)
InChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h7-10H,3-6,11-14H2,1-2H3/b8-7+,10-9-
SMILES (Click to copy)
O=C(CC)OCCCC/C=C\C=C\CCCC

Other Databases

PubChem CID
14638778

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 277.72
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.70
Molar Refractivity 73.40

Admin

Created at
-
Updated at
8th Apr 2025