Structure Database (LMSD)

O O
Common Name
(E)-2-Hexenyl (E)-2-octenoate
Systematic Name
(E)-2-Hexenyl (E)-2-octenoate
Synonyms
  • WE(6:1(2E)/8:1(2E))
LM ID
LMFA07010590
Formula
C14H24O2
Exact Mass
Calculate m/z
224.17763
Sum Composition
WE 14:2
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]

String Representations

InChiKey (Click to copy)
UKRCZEFGDLZNQH-TXSAMIJNSA-N
InChi (Click to copy)
InChI=1S/C14H24O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h8,10-12H,3-7,9,13H2,1-2H3/b11-8+,12-10+
SMILES (Click to copy)
O=C(/C=C/CCCCC)OC/C=C/CCC

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
5364537

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 260.42
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.31
Molar Refractivity 68.78

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Created at
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Updated at
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