Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020192
Common NameAnteisohexa­decanoic acid
Systematic Name13-methyl-pentadecanoic acid
Synonyms-
Exact Mass
256.2402 (neutral)    Calculate m/z:
FormulaC16H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDAT ID1695
PubChem CID146501
PlantFA ID10370
InChIKeyWWASUAHHCLARMF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H32O2/c1-3-15(2)13-11-9-7-5-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H
3,(H,17,18)
SMILESC(CCCCCCCCCCCC(C)CC)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
300.30Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.41Molar
Refractivity
77.88