Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA11000053
Common Name6-Ethyl-4-methyl-3E,5E,7E-decatriene
Systematic Name6-Ethyl-4-methyl-3E,5E,7E-decatriene
Synonyms-
Exact Mass
178.1721 (neutral)    Calculate m/z:
FormulaC13H22
CategoryFatty Acyls [FA]
Main ClassHydrocarbons [FA11]
Sub Class-
PubChem CID56936065
InChIKeyXVFSRVJYTDFHHZ-GCMZYXHCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C13H22/c1-5-8-10-13(7-3)11-12(4)9-6-2/h8-11H,5-7H2,1-4H3/b10-8+,12-9+,1
3-11+
SMILESCC/C=C(\C)/C=C(\CC)/C=C/CC
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
225.54Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP4.65Molar
Refractivity
61.85