Structure Database (LMSD)

O O
Common Name
ethyl 7E-tetradecenoate
Systematic Name
ethyl 7E-tetradecenoate
Synonyms
  • WE(2:0/14:1(7E))
LM ID
LMFA07010491
Formula
C16H30O2
Exact Mass
Calculate m/z
254.22458
Sum Composition
SFE 16:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

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]

String Representations

InChiKey (Click to copy)
LYRFGKLXONDIAK-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h9-10H,3-8,11-15H2,1-2H3/b10-9+
SMILES (Click to copy)
O=C(CCCCC/C=C/CCCCCC)OCC

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
179798
PubChem CID
13940635

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 297.66
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.31
Molar Refractivity 78.11

Admin

Created at
-
Updated at
6th Jun 2022