Structure Database (LMSD)

O O
Common Name
ethyl hexadecanoate
Systematic Name
ethyl hexadecanoate
Synonyms
  • WE(2:0/16:0)
LM ID
LMFA07010471
Formula
C18H36O2
Exact Mass
Calculate m/z
284.27153
Sum Composition
SFE 18:0
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]

String Representations

InChiKey (Click to copy)
XIRNKXNNONJFQO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCC)OCC

References

Comments
Pherobase Semiochemicals

Other Databases

HMDB ID
HMDB0029811
CHEBI ID
84932
PubChem CID
12366
Cayman ID
10008202

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 334.90
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.32
Molar Refractivity 87.44

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Created at
-
Updated at
6th Jun 2022