Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020001
Common Name17-methyl-6Z-octadecenoic acid
Systematic Name17-methyl-6Z-octadecenoic acid
Synonyms-
Exact Mass
296.2715 (neutral)    Calculate m/z:
FormulaC19H36O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID5282256
InChIKeyQWCJNFBLSZGETP-CLFYSBASSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H36O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h7,9,18
H,3-6,8,10-17H2,1-2H3,(H,20,21)/b9-7-
SMILESOC(CCCC/C=C\CCCCCCCCCC(C)C)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
349.56Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.35Molar
Refractivity
91.63