Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030032
Common NameIsodecenoic acid
Systematic Name8-decenoic acid
SynonymsC10:1n-2
Exact Mass
170.1307 (neutral)    Calculate m/z:
FormulaC10H18O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0071
PubChem Compound ID (CID)5282727
InChIKeyYBXSTMNNKQLBCD-NSCUHMNNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-3H,4-9H2,1H3,(H,11,12)/b3-2+
SMILESC/C=C/CCCCCCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
193.86Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP2.99Molar
Refractivity
50.15    
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