Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA11000032
Common Name9S-Methylnonadecane
Systematic Name9S-Methylnonadecane
Synonyms-
Exact Mass
282.3287 (neutral)    Calculate m/z:
FormulaC20H42
CategoryFatty Acyls [FA]
Main ClassHydrocarbons [FA11]
Sub Class-
PubChem CID11161863
InChIKeyFFVPRSKCTDQLBP-FQEVSTJZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H42/c1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2/h20H,4-19H2,
1-3H3/t20-/m0/s1
SMILESCCCCCCCC[C@H](C)CCCCCCCCCC
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
354.56Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP7.90Molar
Refractivity
94.38