Structure Database (LMSD)

Common Name
Pentacosane
Systematic Name
Pentacosane
Synonyms
LM ID
LMFA11000582
Formula
C25H52
Exact Mass
Calculate m/z
352.406901
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View NP-MRD ID(NMR) spectrum

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Polyrhachis (#84544)
Insecta (#50557)
Volatile constituents of two species of Australian formicine ants of the genera Notoncus and Polyrhachis,
Insect Biochem, 1982

String Representations

InChiKey (Click to copy)
YKNWIILGEFFOPE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCCCCCCCCCCC

Other Databases

CHEBI ID
32938
PubChem CID
12406

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 441.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.00
Molar Refractivity 117.54

Admin

Created at
-
Updated at
17th Nov 2025