Structure Database (LMSD)

Common Name
7-Methylheptacosane
Systematic Name
7-Methylheptacosane
Synonyms
LM ID
LMFA11000510
Formula
C28H58
Exact Mass
Calculate m/z
394.453851
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
Neoclytus acuminatus acuminatus (#376231)
Insecta (#50557)
7-methylheptacosane is a major component of the contact sex pheromone of the cerambycid beetle Neoclytus acuminatus acuminatus,
Physiol Entomol, 2008

String Representations

InChiKey (Click to copy)
MEQXGAAQVQYDIP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H58/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-28(3)26-24-9-7-5-2/h28H,4-27H2,1-3H3
SMILES (Click to copy)
CCCCCCC(C)CCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
6429326

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 492.96
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.02
Molar Refractivity 131.32

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Created at
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Updated at
21st Nov 2025