Structure Database (LMSD)

Common Name
ethyl 4Z-octenoate
Systematic Name
ethyl 4Z-octenoate
Synonyms
  • WE(2:0/8:1(4Z))
LM ID
LMFA07010523
Formula
C10H18O2
Exact Mass
Calculate m/z
170.13068
Sum Composition
SFE 10:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
WRUZCQAJIHSQPL-SREVYHEPSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6-
SMILES (Click to copy)
O=C(CC/C=C\CCC)OCC

Other Databases

PubChem CID
5352770

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 193.86
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.97
Molar Refractivity 50.41

Admin

Created at
-
Updated at
6th Jun 2022