Structure Database (LMSD)

Common Name
9,13-Dimethyltritriacontane
Systematic Name
9,13-Dimethyltritriacontane
Synonyms
LM ID
LMFA11000541
Formula
C35H72
Exact Mass
Calculate m/z
492.5634
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)
YUEHAMPVXPFTKS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C35H72/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-31-35(4)33-29-32-34(3)30-27-25-12-10-8-6-2/h34-35H,5-33H2,1-4H3
SMILES (Click to copy)
CCCCCCCCC(C)CCCC(C)CCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
6430456

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 614.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 13.61
Molar Refractivity 163.57

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Created at
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Updated at
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