Structure Database (LMSD)

Common Name
12,16-Dimethyltetratriacontane
Systematic Name
12,16-Dimethyltetratriacontane
Synonyms
LM ID
LMFA11000224
Formula
C36H74
Exact Mass
Calculate m/z
506.57905
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)
XJPRTPKOMOZZCM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C36H74/c1-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-32-36(4)34-30-33-35(3)31-28-26-24-22-14-12-10-8-6-2/h35-36H,5-34H2,1-4H3
SMILES (Click to copy)
CCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
6430381

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 631.36
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 14.00
Molar Refractivity 168.19

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Created at
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Updated at
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