Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01080020
Common Name2-methoxytetradecanoic acid
Systematic Name2-methoxy-tetradecanoic acid
Synonyms2-Methoxymyristic acid; 2-methoxytetra-decanoic acid
Exact Mass
258.2195 (neutral)    Calculate m/z:
FormulaC15H30O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassMethoxy fatty acids [FA0108]
PubChem CID611552
InChIKeySVEUDKQPMQGCGQ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-14(18-2)15(16)17/h14H,3-13H2,1-2H
3,(H,16,17)
SMILESC(C(OC)CCCCCCCCCCCC)(=O)O
StatusActive
ReferencesNew advances in the chemistry of methoxylated lipids. N.M.Carballeira. Progress in Lipid Research. Volume 41, Issue 6, November 2002, Pages 437-456.
https://www.sciencedirect.com/science/article/pii/S016378270200005X?via%3Dihub
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
291.79Topological Polar
Surface Area
46.53Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP4.68Molar
Refractivity
75.41