Structure Database (LMSD)

Common Name
Methyl dodecanoate
Systematic Name
Methyl dodecanoate
Synonyms
  • WE(1:0/12:0)
LM ID
LMFA07010463
Formula
C13H26O2
Exact Mass
Calculate m/z
214.19328
Sum Composition
SFE 13:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
UQDUPQYQJKYHQI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCC)OC

Other Databases

HMDB ID
HMDB0031018
CHEBI ID
87494
PubChem CID
8139
Cayman ID
20608

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 248.40
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.08
Molar Refractivity 63.86

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Created at
-
Updated at
6th Jun 2022