Structure Database (LMSD)

Common Name
(E)-3,7-Dimethyl-2,6-octadienyl formate
Systematic Name
(E)-3,7-Dimethyl-2,6-octadienyl formate
Synonyms
  • WE(8:2(2E,6E)(3Me,7Me)/1:0)
LM ID
LMFA07010611
Formula
C11H18O2
Exact Mass
Calculate m/z
182.13068
Sum Composition
SFE 11:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
FQMZVFJYMPNUCT-YRNVUSSQSA-N
InChi (Click to copy)
InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7+
SMILES (Click to copy)
O=COC/C=C(\C)/CC/C=C(\C)/C

Other Databases

KEGG ID
C12294
CHEBI ID
31648
PubChem CID
5282109

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 208.52
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.14
Molar Refractivity 54.93

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Created at
-
Updated at
6th Jun 2022