Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01080026
Common Name10-methoxy-octadecanoic acid
Systematic Name10-methoxyoctadecanoic acid
Synonyms-
Exact Mass
314.2821 (neutral)    Calculate m/z:
FormulaC19H38O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassMethoxy fatty acids [FA0108]
PubChem CID-
InChIKeyFNELHTCOGDXUFU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H38O3/c1-3-4-5-6-9-12-15-18(22-2)16-13-10-7-8-11-14-17-19(20)21/h18H
,3-17H2,1-2H3,(H,20,21)
SMILESCCCCCCCCC(OC)CCCCCCCCC(=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%3Dihub


Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
360.99Topological Polar
Surface Area
46.53Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP6.24Molar
Refractivity
93.87