Structure Database (LMSD)

Common Name
5S,9S-Dimethyloctadecane
Systematic Name
5S,9S-Dimethyloctadecane
Synonyms
LM ID
LMFA11000027
Formula
C20H42
Exact Mass
Calculate m/z
282.32865
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
MEHFAVZCNHHAMJ-PMACEKPBSA-N
InChi (Click to copy)
InChI=1S/C20H42/c1-5-7-9-10-11-12-13-16-20(4)18-14-17-19(3)15-8-6-2/h19-20H,5-18H2,1-4H3/t19-,20-/m0/s1
SMILES (Click to copy)
CCCC[C@H](C)CCC[C@@H](C)CCCCCCCCC

Other Databases

PubChem CID
10826797

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 354.56
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 7.76
Molar Refractivity 94.31

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Created at
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Updated at
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