Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020033
Common Name2,6-dimethyl-nonadecanoic acid
Systematic Name2,6-dimethyl-nonadecanoic acid
Synonyms-
Exact Mass
326.3185 (neutral)    Calculate m/z:
FormulaC21H42O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA7001
PubChem CID5282614
InChIKeyHYMJVTSGFBXLEJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(2)17-15-18-20(3)21(22)23/h
19-20H,4-18H2,1-3H3,(H,22,23)
SMILESC(CCCCCCCCC)CCCC(C)CCCC(C)C(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
386.80Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.21Molar
Refractivity
100.89