Structure Database (LMSD)

Common Name
(Z)-3,7-Dimethyl-2,6-octadienyl 3-methylbutanoate
Systematic Name
(Z)-3,7-Dimethyl-2,6-octadienyl 3-methylbutanoate
Synonyms
  • WE(8:2(2Z,6E)(3Me,7Me)/4:0(3Me))
LM ID
LMFA07010625
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)
SOUKTGNMIRUIQN-ZROIWOOFSA-N
InChi (Click to copy)
InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9-
SMILES (Click to copy)
O=C(CC(C)C)OC/C=C(/C)\CC/C=C(\C)/C

Other Databases

HMDB ID
HMDB0029350
PubChem CID
6429039

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 277.72
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.55
Molar Refractivity 73.33

Admin

Created at
-
Updated at
-