Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA11000051
Common Name5-Ethyl-3-methyl-2E,4E,6E-nonatriene
Systematic Name5-Ethyl-3-methyl-2E,4E,6E-nonatriene
Synonyms-
Exact Mass
164.1565 (neutral)    Calculate m/z:
FormulaC12H20
CategoryFatty Acyls [FA]
Main ClassHydrocarbons [FA11]
Sub Class-
PubChem CID11805103
InChIKeyCCGOFOHHWSKWIK-GOZCNEPISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C12H20/c1-5-8-9-12(7-3)10-11(4)6-2/h6,8-10H,5,7H2,1-4H3/b9-8+,11-6+,12-
10+
SMILESC/C=C(\C)/C=C(\CC)/C=C/CC
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
208.24Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP4.26Molar
Refractivity
57.24