Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020187
Common NameAnteisoundecanoic acid
Systematic Name8-methyl-decanoic acid
Synonyms-
Exact Mass
186.1620 (neutral)    Calculate m/z:
FormulaC11H22O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDAT ID1710
PubChem CID21813
HMDB IDHMDB0038237
PlantFA ID10210
InChIKeyWGKCPRZDCLXOIQ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C11H22O2/c1-3-10(2)8-6-4-5-7-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
SMILESC(CCCCCCC(C)CC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
213.80Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.46Molar
Refractivity
54.79