Structure Database (LMSD)

O O
Common Name
ethyl 9E-tetradecenoate
Systematic Name
ethyl 9E-tetradecenoate
Synonyms
  • WE(2:0/14:1(9E))
LM ID
LMFA07010492
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)
SVEDZEIUAKXCCX-BQYQJAHWSA-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/h7-8H,3-6,9-15H2,1-2H3/b8-7+
SMILES (Click to copy)
O=C(CCCCCCC/C=C/CCCC)OCC

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
179799
PubChem CID
13574829

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

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Created at
-
Updated at
6th Jun 2022