Structure database (LMSD)

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LM IDLMFA11000027
Common Name5S,9S-Dimethyloctadecane
Systematic Name5S,9S-Dimethyloctadecane
Synonyms-
Exact Mass
282.3287 (neutral)    Calculate m/z:
FormulaC20H42
CategoryFatty Acyls [FA]
Main ClassHydrocarbons [FA11]
Sub Class-
PubChem CID10826797
InChIKeyMEHFAVZCNHHAMJ-PMACEKPBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H42/c1-5-7-9-10-11-12-13-16-20(4)18-14-17-19(3)15-8-6-2/h19-20H,5-18
H2,1-4H3/t19-,20-/m0/s1
SMILESCCCC[C@H](C)CCC[C@@H](C)CCCCCCCCC
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
354.56Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP7.76Molar
Refractivity
94.31