Structure Database (LMSD)

Common Name
13R-Methyl-6E-heneicosene
Systematic Name
13R-Methyl-6E-heneicosene
Synonyms
LM ID
LMFA11000038
Formula
C22H44
Exact Mass
Calculate m/z
308.344301
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
Scoliopteryx libatrix (#132600)
Insecta (#50557)
Scoliopteryx libatrix (L.) (Lep., Noctuidae) male reaction to the synthetic main sex pheromone component and its isomers – wind tunnel and field investigations,
J Appl Entomol, 2003

String Representations

InChiKey (Click to copy)
CFLRHPQYBXOMBU-CHHLAKQQSA-N
InChi (Click to copy)
InChI=1S/C22H44/c1-4-6-8-10-12-13-14-15-17-19-21-22(3)20-18-16-11-9-7-5-2/h12-13,22H,4-11,14-21H2,1-3H3/b13-12+/t22-/m1/s1
SMILES (Click to copy)
CCCCC/C=C/CCCCC[C@H](C)CCCCCCCC

Other Databases

PubChem CID
56936060

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 386.52
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 8.46
Molar Refractivity 103.52

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Created at
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Updated at
17th Dec 2025