Structure Database (LMSD)

Common Name
Heptacosane
Systematic Name
Heptacosane
Synonyms
LM ID
LMFA11000574
Formula
C27H56
Exact Mass
Calculate m/z
380.438201
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View NP-MRD ID(NMR) spectrum
View studies deposited in Metabolomics Workbench in which this molecule has been identified

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)
BJQWYEJQWHSSCJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCCCCCCCCCCCCC

Other Databases

CHEBI ID
32941
PubChem CID
11636

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 475.66
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.78
Molar Refractivity 126.77

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Created at
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Updated at
17th Nov 2025