Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01080021
Common Name2-methoxydecanoic acid
Systematic Name2-methoxy-decanoic acid
SynonymsDecanoic acid, 2-methoxy;
Exact Mass
202.1569 (neutral)    Calculate m/z:
FormulaC11H22O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassMethoxy fatty acids [FA0108]
PubChem CID549854
InChIKeyWMKSSGPYLVBYJC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C11H22O3/c1-3-4-5-6-7-8-9-10(14-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
SMILESC(C(CCCCCCCC)OC)(=O)O
MS Spectra-     
StatusActive
ReferencesNew Advances in Fatty Acids as Antimalarial, Antimycobacterial and Antifungal Agents. N.M. Carballeira. Progress in Lipid Research. Volume 47, Issue 1, 2008 January, pp. 50–61.

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2238809/
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
222.59Topological Polar
Surface Area
46.53Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP3.12Molar
Refractivity
56.94