Structure Database (LMSD)

O O
Common Name
(E)-2-Hexenyl (E)-7,9-decadienoate
Systematic Name
(E)-2-Hexenyl (E)-7,9-decadienoate
Synonyms
  • WE(6:1(2E)/10:2(7E,9E))
LM ID
LMFA07010584
Formula
C16H26O2
Exact Mass
Calculate m/z
250.19328
Sum Composition
WE 16:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
SBTGHFZCYIFQIH-OAPZVAQESA-N
InChi (Click to copy)
InChI=1S/C16H26O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h3,5,7-8,13H,1,4,6,9-12,14-15H2,2H3/b7-5+,13-8+
SMILES (Click to copy)
O=C(CCCCC/C=C/C=C)OC/C=C/CCC

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
180358
PubChem CID
56936002

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 292.38
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.86
Molar Refractivity 77.92

Admin

Created at
-
Updated at
-