Structure Database (LMSD)

O O
Common Name
(E)-3,7-Dimethyl-2,6-octadienyl dodecanoate
Systematic Name
(E)-3,7-Dimethyl-2,6-octadienyl dodecanoate
Synonyms
  • WE(8:2(2E,6E)(3Me,7Me)/12:0)
LM ID
LMFA07010613
Formula
C22H40O2
Exact Mass
Calculate m/z
336.30283
Sum Composition
WE 22:2
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)
LNEUQAMNTXRCPI-DYTRJAOYSA-N
InChi (Click to copy)
InChI=1S/C22H40O2/c1-5-6-7-8-9-10-11-12-13-17-22(23)24-19-18-21(4)16-14-15-20(2)3/h15,18H,5-14,16-17,19H2,1-4H3/b21-18+
SMILES (Click to copy)
O=C(CCCCCCCCCCC)OC/C=C(\C)/CC/C=C(\C)/C

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
6114709

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 398.82
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 7.43
Molar Refractivity 105.72

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Created at
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Updated at
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