Structure Database (LMSD)

Common Name
12-Methyloctacosane
Systematic Name
12-Methyloctacosane
Synonyms
LM ID
LMFA11000230
Formula
C29H60
Exact Mass
Calculate m/z
408.4695
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)
FVCFDMCSCKJPCC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H60/c1-4-6-8-10-12-14-15-16-17-18-20-22-24-26-28-29(3)27-25-23-21-19-13-11-9-7-5-2/h29H,4-28H2,1-3H3
SMILES (Click to copy)
CCCCCCCCCCCC(C)CCCCCCCCCCCCCCCC

Other Databases

PubChem CID
6428626

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 510.26
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.41
Molar Refractivity 135.94

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Created at
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Updated at
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