Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01080009
Common Name2-methoxy-hexadecanoic acid
Systematic Name2-methoxy-hexadecanoic acid
Synonyms2-Methoxyhexadecanoic acid
Exact Mass
286.2508 (neutral)    Calculate m/z:
FormulaC17H34O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassMethoxy fatty acids [FA0108]
PubChem CID656825
KEGG IDC13947
CHEBI ID34295
InChIKeyYNBIUHDYZWCBSF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h16H,3-15H
2,1-2H3,(H,18,19)
SMILESOC(=O)C(OC)CCCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
326.39Topological Polar
Surface Area
46.53Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.46Molar
Refractivity
84.64