Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170017
Common Name4-methyl-tridecanedioic acid
Systematic Name4-methyl-tridecanedioic acid
Synonyms-
Exact Mass
258.1831 (neutral)    Calculate m/z:
FormulaC14H26O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
Alternative ClassesBranched fatty acids[FA0102]
LIPIDAT ID5313
PubChem CID9543660
InChIKeyCBWZQKMGWFWYMF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H26O4/c1-12(10-11-14(17)18)8-6-4-2-3-5-7-9-13(15)16/h12H,2-11H2,1H3,
(H,15,16)(H,17,18)
SMILESC(CCC(C)CCCCCCCCC(=O)O)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
280.64Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP3.69Molar
Refractivity
70.61