Structure Database (LMSD)

Common Name
13,17,21-Trimethyltritriacontane
Systematic Name
13,17,21-Trimethyltritriacontane
Synonyms
LM ID
LMFA11000236
Formula
C36H74
Exact Mass
Calculate m/z
506.57905
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)
VPNSAYIYZOPVGL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C36H74/c1-6-8-10-12-14-16-18-20-22-24-28-34(3)30-26-32-36(5)33-27-31-35(4)29-25-23-21-19-17-15-13-11-9-7-2/h34-36H,6-33H2,1-5H3
SMILES (Click to copy)
CCCCCCCCCCCCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCC

Other Databases

CHEBI ID
165726
PubChem CID
545973

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 631.36
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 13.86
Molar Refractivity 168.12

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Created at
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Updated at
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