Structure Database (LMSD)

Common Name
(E)-3,7-Dimethyl-2,6-octadienyl decanoate
Systematic Name
(E)-3,7-Dimethyl-2,6-octadienyl decanoate
Synonyms
  • WE(8:2(2E,6E)(3Me,7Me)/10:0)
LM ID
LMFA07010612
Formula
C20H36O2
Exact Mass
Calculate m/z
308.27153
Sum Composition
WE 20:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
ICAWXCQTUNYABR-KNTRCKAVSA-N
InChi (Click to copy)
InChI=1S/C20H36O2/c1-5-6-7-8-9-10-11-15-20(21)22-17-16-19(4)14-12-13-18(2)3/h13,16H,5-12,14-15,17H2,1-4H3/b19-16+
SMILES (Click to copy)
O=C(CCCCCCCCC)OC/C=C(\C)/CC/C=C(\C)/C

Other Databases

CHEBI ID
180341
PubChem CID
15767023

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 364.22
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.65
Molar Refractivity 96.48

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Created at
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Updated at
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