Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01080022
Common Name2-methoxy-4-oxatetradecanoic acid
Systematic Name2-methoxy-4-oxa-tetradecanoic acid
Synonymstetradecanoic acid, 2-methoxy, 4-oxa
Exact Mass
260.1988 (neutral)    Calculate m/z:
FormulaC14H28O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassMethoxy fatty acids [FA0108]
PubChem CID54294489
InChIKeyRZVKSAIQLVVRNB-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H28O4/c1-3-4-5-6-7-8-9-10-11-18-12-13(17-2)14(15)16/h13H,3-12H2,1-2H
3,(H,15,16)
SMILESC(C(COCCCCCCCCCC)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 Atoms18Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
283.28Topological Polar
Surface Area
55.76Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP4.10Molar
Refractivity
73.35