Structure Database (LMSD)

Common Name
SFE 1:0/11:2(5E,9E)(2Me,6Me,10Me)
Systematic Name
Methyl (E)-2,6,10-trimethyl-5,9-undecadienoate
Synonyms
  • WE(1:0/11:2(5E,9E)(2Me,6Me,10Me))
LM ID
LMFA07010526
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]
Branched fatty acids [FA0102]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Chlorochroa uhleri (#460020)
Insecta (#50557)
Identification and synthesis of male-produced sex pheromone components of the stink bugs Chlorochroa ligata and Chlorochroa uhleri.,
J Chem Ecol, 2001
Pubmed ID: 11710612

String Representations

InChiKey (Click to copy)
SCYKTOMXCGXHLC-JLHYYAGUSA-N
InChi (Click to copy)
InChI=1S/C15H26O2/c1-12(2)8-6-9-13(3)10-7-11-14(4)15(16)17-5/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+
SMILES (Click to copy)
O=C(C(C)CC/C=C(\C)/CC/C=C(\C)/C)OC

Other Databases

PubChem CID
10036589

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 277.72
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.27
Molar Refractivity 72.84

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Created at
-
Updated at
28th May 2025