Structure Database (LMSD)

Common Name
4,6,8,10,16,18-Hexamethyldocosane
Systematic Name
4,6,8,10,16,18-Hexamethyldocosane
Synonyms
LM ID
LMFA11000416
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
Antitrogus parvulus (#247271)
Insecta (#50557)
Novel cuticular hydrocarbons from the cane beetle Antitrogus parvulus--4,6,8,10,16-penta- and 4,6,8,10,16,18-hexamethyldocosanes-unprecedented anti-anti-anti-stereochemistry in the 4,6,8,10-methyltetrad.,
J Org Chem, 2005
Pubmed ID: 15730306

String Representations

InChiKey (Click to copy)
STQCZSKIOVDDDU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H58/c1-9-11-16-24(4)19-25(5)17-13-12-14-18-26(6)21-28(8)22-27(7)20-23(3)15-10-2/h23-28H,9-22H2,1-8H3
SMILES (Click to copy)
CCCC(C)CC(C)CC(C)CC(C)CCCCCC(C)CC(C)CCCC

Other Databases

PubChem CID
56936177

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 492.96
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.30
Molar Refractivity 130.97

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Created at
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Updated at
18th Nov 2025