Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020249
Common Name4,8,12-trimethyl-tridecanoic acid
Systematic Name4,8,12-trimethyl-tridecanoic acid
SynonymsTridecanoic acid, 4,8,12-trimethyl-; 4,8,12-Trimethyltridecanoic acid
Exact Mass
256.2402 (neutral)    Calculate m/z:
FormulaC16H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDAT ID1734
PubChem CID151503
HMDB IDHMDB0002396
InChIKeyFUYCAQNCWDAOLQ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H32O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17)18/h13-15H,5-12H2,1
-4H3,(H,17,18)
SMILESC(CCC(C)CCCC(C)CCCC(C)C)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
300.30Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.12Molar
Refractivity
77.74