Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020037
Common Name4,12-dimethyl-tridecanoic acid
Systematic Name4,12-dimethyl-tridecanoic acid
Synonyms-
Exact Mass
242.2246 (neutral)    Calculate m/z:
FormulaC15H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA7005
PubChem CID5282618
InChIKeyRDZXTVBBIJUSEU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H30O2/c1-13(2)9-7-5-4-6-8-10-14(3)11-12-15(16)17/h13-14H,4-12H2,1-3H
3,(H,16,17)
SMILESC(CC(C)C)CCCCCC(C)CCC(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
283.00Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.87Molar
Refractivity
73.19