Structure Database (LMSD)

Common Name
9-Methyldocosane
Systematic Name
9-Methyldocosane
Synonyms
LM ID
LMFA11000552
Formula
C23H48
Exact Mass
Calculate m/z
324.375601
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Adalia bipunctata (#7084)
Insecta (#50557)
The role of semiochemicals in short-range location of aggregation sites in Adalia bipunctata (Coleoptera, Coccinellidae).,
J Chem Ecol, 2013
Pubmed ID: 23620127

String Representations

InChiKey (Click to copy)
ZCELPTJBINQNKO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H48/c1-4-6-8-10-12-13-14-15-16-18-20-22-23(3)21-19-17-11-9-7-5-2/h23H,4-22H2,1-3H3
SMILES (Click to copy)
CCCCCCCCC(C)CCCCCCCCCCCCC

Other Databases

PubChem CID
22223822

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 406.46
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 9.07
Molar Refractivity 108.24

Admin

Created at
-
Updated at
17th Dec 2025