Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170044
Common Name4E-Decenedioic acid
Systematic Name4E-Decenedioic acid
Synonyms-
Exact Mass
200.1049 (neutral)    Calculate m/z:
FormulaC10H16O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
Alternative ClassesUnsaturated fatty acids[FA0103]
LIPIDAT ID2723
PubChem CID6365634
InChIKeyCXGDCGIPEJKSCK-HNQUOIGGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1,3H,2,4-8H2,(H,11,12)(H,13
,14)/b3-1+
SMILESC(CC/C=C/CCCCC(=O)O)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
208.80Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP2.05Molar
Refractivity
52.11