Structure Database (LMSD)

O O
Common Name
(E)-3,7-Dimethyl-2,6-octadienyl nonanoate
Systematic Name
(E)-3,7-Dimethyl-2,6-octadienyl nonanoate
Synonyms
  • WE(8:2(2E,6E)(3Me,7Me)/9:0)
LM ID
LMFA07010621
Formula
C19H34O2
Exact Mass
Calculate m/z
294.25588
Sum Composition
WE 19:2
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)
WVOMTKJRDMPOCF-OBGWFSINSA-N
InChi (Click to copy)
InChI=1S/C19H34O2/c1-5-6-7-8-9-10-14-19(20)21-16-15-18(4)13-11-12-17(2)3/h12,15H,5-11,13-14,16H2,1-4H3/b18-15+
SMILES (Click to copy)
O=C(CCCCCCCC)OC/C=C(\C)/CC/C=C(\C)/C

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
6437207

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 346.92
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.26
Molar Refractivity 91.86

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Created at
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Updated at
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