Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170019
Common Name3-methyl-tetradecanedioic acid
Systematic Name3-methyl-tetradecanedioic acid
Synonyms-
Exact Mass
272.1988 (neutral)    Calculate m/z:
FormulaC15H28O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
Alternative ClassesBranched fatty acids[FA0102]
LIPIDAT ID5301
PubChem CID9543661
InChIKeyHTLFNPZXCRJHSI-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H28O4/c1-13(12-15(18)19)10-8-6-4-2-3-5-7-9-11-14(16)17/h13H,2-12H2,1
H3,(H,16,17)(H,18,19)
SMILESC(CC(C)CCCCCCCCCCC(=O)O)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
297.94Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP4.08Molar
Refractivity
75.22