Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020050
Common Name6,14-dimethyl-octadecanoic acid
Systematic Name6,14-dimethyl-octadecanoic acid
Synonyms-
Exact Mass
312.3028 (neutral)    Calculate m/z:
FormulaC20H40O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA7018
PubChem CID5282631
InChIKeyCTVSLGVSIPMXMI-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H40O2/c1-4-5-13-18(2)14-9-7-6-8-10-15-19(3)16-11-12-17-20(21)22/h18-
19H,4-17H2,1-3H3,(H,21,22)
SMILESC(CCCC(C)CCCC)CCCC(C)CCCCC(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
369.50Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.82Molar
Refractivity
96.28