Structure Database (LMSD)

Common Name
3,15-Dimethylheptatriacontane
Systematic Name
3,15-Dimethylheptatriacontane
Synonyms
LM ID
LMFA11000362
Formula
C39H80
Exact Mass
Calculate m/z
548.626
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)
ZWMSMPPHLSPJDK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C39H80/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27-30-33-36-39(4)37-34-31-28-25-22-24-26-29-32-35-38(3)6-2/h38-39H,5-37H2,1-4H3
SMILES (Click to copy)
CCC(C)CCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
6430410

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 0
Aromatic Rings 0
Rotatable Bonds 34
Van der Waals Molecular Volume 683.26
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 15.17
Molar Refractivity 182.04

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Created at
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Updated at
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