Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170021
Common NamePentadecanedioic acid
Systematic NamePentadecanedioic acid
Synonyms-
Exact Mass
272.1988 (neutral)    Calculate m/z:
FormulaC15H28O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
LIPIDAT ID8336
PubChem CID160576
InChIKeyBTZVDPWKGXMQFW-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H28O4/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h1-13H2,(H,16
,17)(H,18,19)
SMILESC(CCCCCCCCCCCCCC(=O)O)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
297.94Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP4.23Molar
Refractivity
75.29