Structure Database (LMSD)

Common Name
11,19,23-Trimethylheptatriacontane
Systematic Name
11,19,23-Trimethylheptatriacontane
Synonyms
LM ID
LMFA11000202
Formula
C40H82
Exact Mass
Calculate m/z
562.641651
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)
XFBXDFLXACOLRR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C40H82/c1-6-8-10-12-14-16-17-18-19-21-24-28-34-39(4)36-31-37-40(5)35-30-26-22-25-29-33-38(3)32-27-23-20-15-13-11-9-7-2/h38-40H,6-37H2,1-5H3
SMILES (Click to copy)
CCCCCCCCCCC(C)CCCCCCCC(C)CCCC(C)CCCCCCCCCCCCCC

Other Databases

PubChem CID
6430371

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 34
Van der Waals Molecular Volume 700.56
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 15.42
Molar Refractivity 186.58

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Created at
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Updated at
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