Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA11000022
Common Name3S,13R-Dimethylheptadecane
Systematic Name3S,13R-Dimethylheptadecane
Synonyms-
Exact Mass
268.3130 (neutral)    Calculate m/z:
FormulaC19H40
CategoryFatty Acyls [FA]
Main ClassHydrocarbons [FA11]
Sub Class-
PubChem CID15291111
InChIKeySHJISVVEHWFONS-RBUKOAKNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H40/c1-5-7-15-19(4)17-14-12-10-8-9-11-13-16-18(3)6-2/h18-19H,5-17H2,
1-4H3/t18-,19+/m0/s1
SMILESCC[C@H](C)CCCCCCCCC[C@H](C)CCCC
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
337.26Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP7.37Molar
Refractivity
89.70