Structure Database (LMSD)

Common Name
13,23-Dimethylheptatriacontane
Systematic Name
13,23-Dimethylheptatriacontane
Synonyms
LM ID
LMFA11000253
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)
BDNZFJYVVXMFBV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C39H80/c1-5-7-9-11-13-15-17-18-20-23-27-31-35-39(4)37-33-29-25-21-24-28-32-36-38(3)34-30-26-22-19-16-14-12-10-8-6-2/h38-39H,5-37H2,1-4H3
SMILES (Click to copy)
CCCCCCCCCCCCC(C)CCCCCCCCCC(C)CCCCCCCCCCCCCC

Other Databases

PubChem CID
6430404

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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