Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01080031
Common Name11-methoxy-nonadecanoic acid
Systematic Name11-methoxynonadecanoic acid
Synonyms-
Exact Mass
328.2977 (neutral)    Calculate m/z:
FormulaC20H40O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassMethoxy fatty acids [FA0108]
PubChem CID-
InChIKeyROZAZLGTUNTXFB-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H40O3/c1-3-4-5-6-10-13-16-19(23-2)17-14-11-8-7-9-12-15-18-20(21)22/h
19H,3-18H2,1-2H3,(H,21,22)
SMILESC(CC)CCCCCC(OC)CCCCCCCCCC(=O)O
MS Spectra-     
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 Atoms23Rings0Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
378.29Topological Polar
Surface Area
46.53Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP6.63Molar
Refractivity
98.49