Structure Database (LMSD)

Common Name
4,8,16-Trimethyltetratriacontane
Systematic Name
4,8,16-Trimethyltetratriacontane
Synonyms
LM ID
LMFA11000424
Formula
C37H76
Exact Mass
Calculate m/z
520.5947
Status
Curated
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)
DYIKXRQRJAKMQM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C37H76/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-30-36(4)31-26-23-21-24-27-32-37(5)34-28-33-35(3)29-7-2/h35-37H,6-34H2,1-5H3
SMILES (Click to copy)
CCCC(C)CCCC(C)CCCCCCCC(C)CCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
6430429

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 648.66
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 14.25
Molar Refractivity 172.73

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Created at
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Updated at
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