Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020034
Common Name2,6-dimethyl-undecanoic acid
Systematic Name2,6-dimethyl-undecanoic acid
Synonyms-
Exact Mass
214.1933 (neutral)    Calculate m/z:
FormulaC13H26O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA7002
PubChem CID5282615
InChIKeyIWXDJEKSYPEGNS-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C13H26O2/c1-4-5-6-8-11(2)9-7-10-12(3)13(14)15/h11-12H,4-10H2,1-3H3,(H,1
4,15)
SMILESC(C)CCCC(C)CCCC(C)C(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings0Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
248.40Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.09Molar
Refractivity
63.96