Structure Database (LMSD)

Common Name
5S,9S-Dimethylheptadecane
Systematic Name
5S,9S-Dimethylheptadecane
Synonyms
LM ID
LMFA11000026
Status
Active
Exact Mass
Calculate m/z
268.313
Formula
C19H40
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

String Representations

InChiKey (Click to copy)
NAZZVMQIBMVGND-OALUTQOASA-N
InChi (Click to copy)
InChI=1S/C19H40/c1-5-7-9-10-11-12-15-19(4)17-13-16-18(3)14-8-6-2/h18-19H,5-17H2,1-4H3/t18-,19-/m0/s1
SMILES (Click to copy)
CCCC[C@H](C)CCC[C@@H](C)CCCCCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
10563865

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 337.26
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 7.37
Molar Refractivity 89.70

Admin

Created at
-
Updated at
-