Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020038
Common Name2,6-dimethyl-tetradecanoic acid
Systematic Name2,6-dimethyl-tetradecanoic acid
Synonyms-
Exact Mass
256.2402 (neutral)    Calculate m/z:
FormulaC16H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA7006
PubChem CID5282619
InChIKeyGZYWCKOFFXOPCO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H32O2/c1-4-5-6-7-8-9-11-14(2)12-10-13-15(3)16(17)18/h14-15H,4-13H2,1
-3H3,(H,17,18)
SMILESC(CCCC)CCCC(C)CCCC(C)C(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
300.30Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.26Molar
Refractivity
77.81