Structure Database (LMSD)

O O
Common Name
ethyl dodecanoate
Systematic Name
ethyl dodecanoate
Synonyms
  • WE(2:0/12:0)
LM ID
LMFA07010464
Formula
C14H28O2
Exact Mass
Calculate m/z
228.20893
Sum Composition
SFE 14:0
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)
MMXKVMNBHPAILY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCC)OCC

References

Comments
Pherobase Semiochemicals

Other Databases

HMDB ID
HMDB0033788
CHEBI ID
87427
PubChem CID
7800
Cayman ID
10008203

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 265.70
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.76
Molar Refractivity 68.97

Admin

Created at
-
Updated at
6th Jun 2022