Structure Database (LMSD)

Common Name
3,7,15-Trimethylheptatriacontane
Systematic Name
3,7,15-Trimethylheptatriacontane
Synonyms
LM ID
LMFA11000377
Formula
C40H82
Exact Mass
Calculate m/z
562.64165
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)
JOINQOCWDNVBSJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C40H82/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29-33-39(4)34-30-27-25-28-31-35-40(5)37-32-36-38(3)7-2/h38-40H,6-37H2,1-5H3
SMILES (Click to copy)
CCC(C)CCCC(C)CCCCCCCC(C)CCCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
6430416

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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