Structure Database (LMSD)

O O
Common Name
(E)-3,7-Dimethyl-2,6-octadienyl octanoate
Systematic Name
(E)-3,7-Dimethyl-2,6-octadienyl octanoate
Synonyms
  • WE(8:2(2E,6E)(3Me,7Me)/8:0)
LM ID
LMFA07010620
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
WE 18:2
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)
YYBMOGCOPQVSLQ-SAPNQHFASA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,14H,5-10,12-13,15H2,1-4H3/b17-14+
SMILES (Click to copy)
O=C(CCCCCCC)OC/C=C(\C)/CC/C=C(\C)/C

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
6365696

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 329.62
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.87
Molar Refractivity 87.25

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Created at
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Updated at
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