Structure Database (LMSD)

Common Name
4,8,12-Trimethyldotriacontane
Systematic Name
4,8,12-Trimethyldotriacontane
Synonyms
LM ID
LMFA11000419
Formula
C35H72
Exact Mass
Calculate m/z
492.563401
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)
BTBIBLQFGOLTNC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C35H72/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-34(4)30-26-32-35(5)31-25-29-33(3)27-7-2/h33-35H,6-32H2,1-5H3
SMILES (Click to copy)
CCCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
520367

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 614.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 13.47
Molar Refractivity 163.50

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Created at
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Updated at
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