Structure Database (LMSD)

Common Name
4,6,8,10,16-Pentamethyldocosane
Systematic Name
4,6,8,10,16-Pentamethyldocosane
Synonyms
LM ID
LMFA11000417
Formula
C27H56
Exact Mass
Calculate m/z
380.438201
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)
VVDSINUIUNMYHT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H56/c1-8-10-11-13-17-23(3)18-14-12-15-19-25(5)21-27(7)22-26(6)20-24(4)16-9-2/h23-27H,8-22H2,1-7H3
SMILES (Click to copy)
CCCC(C)CC(C)CC(C)CC(C)CCCCCC(C)CCCCCC

Other Databases

PubChem CID
56936178

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 475.66
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.06
Molar Refractivity 126.42

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Created at
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Updated at
5th Dec 2025