Structure Database (LMSD)

Common Name
17,21-Dimethylhentetracontane
Systematic Name
17,21-Dimethylhentetracontane
Synonyms
LM ID
LMFA11000301
Formula
C43H88
Exact Mass
Calculate m/z
604.6886
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)
IFNVTLAYDUJJMW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C43H88/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-39-43(4)41-37-40-42(3)38-35-33-31-29-27-25-20-18-16-14-12-10-8-6-2/h42-43H,5-41H2,1-4H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
56936164

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 0
Aromatic Rings 0
Rotatable Bonds 38
Van der Waals Molecular Volume 752.46
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 16.73
Molar Refractivity 200.50

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Updated at
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