Structure Database (LMSD)

Common Name
(E)-3,7-Dimethyl-2,6-octadienyl pentanoate
Systematic Name
(E)-3,7-Dimethyl-2,6-octadienyl pentanoate
Synonyms
  • WE(8:2(2E,6E)(3Me,7Me)/5:0)
LM ID
LMFA07010617
Formula
C15H26O2
Exact Mass
Calculate m/z
238.19328
Sum Composition
WE 15:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
CVSWGLSBJFKWMW-SDNWHVSQSA-N
InChi (Click to copy)
InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11+
SMILES (Click to copy)
O=C(CCCC)OC/C=C(\C)/CC/C=C(\C)/C

Other Databases

PubChem CID
5365850

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 277.72
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.70
Molar Refractivity 73.40

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Created at
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Updated at
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