Structure Database (LMSD)

Common Name
3,7-Dimethylpentatriacontane
Systematic Name
3,7-Dimethylpentatriacontane
Synonyms
LM ID
LMFA11000386
Formula
C37H76
Exact Mass
Calculate m/z
520.5947
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)
VGPJDHPPCZZNLD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C37H76/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-37(4)35-32-34-36(3)6-2/h36-37H,5-35H2,1-4H3
SMILES (Click to copy)
CCC(C)CCCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
6430422

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 648.66
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 14.39
Molar Refractivity 172.80

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Created at
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Updated at
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