Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020042
Common Name2,6-dimethyl-hexadecanoic acid
Systematic Name2,6-dimethyl-hexadecanoic acid
Synonyms-
Exact Mass
284.2715 (neutral)    Calculate m/z:
FormulaC18H36O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA7010
PubChem CID5282623
InChIKeyAIJKUSCCAPFTGP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-13-16(2)14-12-15-17(3)18(19)20/h16-17H,4-
15H2,1-3H3,(H,19,20)
SMILESC(CCCCCC)CCCC(C)CCCC(C)C(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
334.90Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.04Molar
Refractivity
87.04