Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020043
Common Name4,8-dimethyl-hexadecanoic acid
Systematic Name4,8-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 IDDFA7011
PubChem CID5282624
InChIKeyISAMPHAHOXYTOP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H36O2/c1-4-5-6-7-8-9-11-16(2)12-10-13-17(3)14-15-18(19)20/h16-17H,4-
15H2,1-3H3,(H,19,20)
SMILESC(CCCCCC)CC(C)CCCC(C)CCC(=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