Structure Database (LMSD)

Common Name
Octacosane
Systematic Name
Octacosane
Synonyms
LM ID
LMFA11000580
Formula
C28H58
Exact Mass
Calculate m/z
394.45385
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
ZYURHZPYMFLWSH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCCCCCCCCCCCCCC

Other Databases

HMDB ID
HMDB0061868
CHEBI ID
32943
PubChem CID
12408

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 492.96
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.17
Molar Refractivity 131.39

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Created at
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Updated at
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