Structure Database (LMSD)

Common Name
11,21-Dimethyltritriacontane
Systematic Name
11,21-Dimethyltritriacontane
Synonyms
LM ID
LMFA11000207
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)
XTWFUIZBLNXGHB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C35H72/c1-5-7-9-11-13-15-16-19-23-27-31-35(4)33-29-25-21-17-20-24-28-32-34(3)30-26-22-18-14-12-10-8-6-2/h34-35H,5-33H2,1-4H3
SMILES (Click to copy)
CCCCCCCCCCC(C)CCCCCCCCCC(C)CCCCCCCCCCCC

Other Databases

PubChem CID
6430376

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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