Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01080011
Common Name7-Methoxy-9-methyl-4E,8E-hexadecadienoic acid
Systematic Name7-Methoxy-9-methyl-4E,8E-hexadecadienoic acid
Synonyms-
Exact Mass
296.2351 (neutral)    Calculate m/z:
FormulaC18H32O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassMethoxy fatty acids [FA0108]
PubChem CID21773182
InChIKeyRDADKZPYWXITRK-ZNNSQMGQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H32O3/c1-4-5-6-7-9-12-16(2)15-17(21-3)13-10-8-11-14-18(19)20/h8,10,1
5,17H,4-7,9,11-14H2,1-3H3,(H,19,20)/b10-8+,16-15+
SMILESC(O)(=O)CC/C=C/CC(OC)/C=C(\C)/CCCCCCC
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
338.41Topological Polar
Surface Area
46.53Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.41Molar
Refractivity
89.07