Structure Database (LMSD)

O O
Common Name
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl pentanoate
Systematic Name
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl pentanoate
Synonyms
  • WE(12:3(2E,6E,10E)(3Me,7Me,11Me)/5:0)
LM ID
LMFA07010544
Formula
C20H34O2
Exact Mass
Calculate m/z
306.25588
Sum Composition
WE 20:3
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]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
WLNFGKOLWOXXAF-XYAZGONESA-N
InChi (Click to copy)
InChI=1S/C20H34O2/c1-6-7-14-20(21)22-16-15-19(5)13-9-12-18(4)11-8-10-17(2)3/h10,12,15H,6-9,11,13-14,16H2,1-5H3/b18-12+,19-15+
SMILES (Click to copy)
O=C(CCCC)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
56935989

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 361.58
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.42
Molar Refractivity 96.39

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Created at
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Updated at
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