Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01080013
Common Name9-methoxy-pentadecanoic acid
Systematic Name9-methoxy-pentadecanoic acid
Synonyms-
Exact Mass
272.2351 (neutral)    Calculate m/z:
FormulaC16H32O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassMethoxy fatty acids [FA0108]
PubChem CID15389269
InChIKeyQWMAMXJYEIAKRF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H32O3/c1-3-4-5-9-12-15(19-2)13-10-7-6-8-11-14-16(17)18/h15H,3-14H2,1
-2H3,(H,17,18)
SMILESC(CCCCCCCC(OC)CCCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
309.09Topological Polar
Surface Area
46.53Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.07Molar
Refractivity
80.02