Structure Database (LMSD)

Common Name
12-Methyltetracosane
Systematic Name
12-Methyltetracosane
Synonyms
LM ID
LMFA11000232
Formula
C25H52
Exact Mass
Calculate m/z
352.4069
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)
GOVCFPPSXWBHGY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H52/c1-4-6-8-10-12-14-16-18-20-22-24-25(3)23-21-19-17-15-13-11-9-7-5-2/h25H,4-24H2,1-3H3
SMILES (Click to copy)
CCCCCCCCCCCC(C)CCCCCCCCCCCC

Other Databases

CHEBI ID
187716
PubChem CID
6428631

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 441.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 9.85
Molar Refractivity 117.47

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Created at
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Updated at
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