Structure database (LMSD)

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LM IDLMFA11000017
Common Name10S,14S-Dimethyl-1-octadecene
Systematic Name10S,14S-Dimethyl-1-octadecene
Synonyms-
Exact Mass
280.3130 (neutral)    Calculate m/z:
FormulaC20H40
CategoryFatty Acyls [FA]
Main ClassHydrocarbons [FA11]
Sub Class-
PubChem CID10802739
InChIKeyHNNJJUHEQQKTEO-PMACEKPBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H40/c1-5-7-9-10-11-12-13-16-20(4)18-14-17-19(3)15-8-6-2/h5,19-20H,1,
6-18H2,2-4H3/t19-,20-/m0/s1
SMILESC=CCCCCCCC[C@H](C)CCC[C@@H](C)CCCC
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
351.92Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP7.54Molar
Refractivity
94.22