Structure Database (LMSD)

Common Name
13,17,21-Trimethylnonatriacontane
Systematic Name
13,17,21-Trimethylnonatriacontane
Synonyms
LM ID
LMFA11000234
Formula
C42H86
Exact Mass
Calculate m/z
590.67295
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)
RQSDFWTXQZBTCH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C42H86/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-35-41(4)37-33-39-42(5)38-32-36-40(3)34-30-28-26-24-17-15-13-11-9-7-2/h40-42H,6-39H2,1-5H3
SMILES (Click to copy)
CCCCCCCCCCCCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
6430385

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 0
Aromatic Rings 0
Rotatable Bonds 36
Van der Waals Molecular Volume 735.16
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 16.20
Molar Refractivity 195.82

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Updated at
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