Structure Database (LMSD)

O O
Common Name
Methyl decanoate
Systematic Name
Methyl decanoate
Synonyms
  • WE(1:0/10:0)
LM ID
LMFA07010454
Formula
C11H22O2
Exact Mass
Calculate m/z
186.16198
Sum Composition
SFE 11:0
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)
YRHYCMZPEVDGFQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCC)OC

References

Comments
Pherobase Semiochemicals

Other Databases

HMDB ID
HMDB0033848
CHEBI ID
143577
PubChem CID
8050
Cayman ID
26864

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 213.80
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.30
Molar Refractivity 54.63

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Created at
-
Updated at
6th Jun 2022