Structure Database (LMSD)

Common Name
3,9-Dimethylhentriacontane
Systematic Name
3,9-Dimethylhentriacontane
Synonyms
LM ID
LMFA11000389
Formula
C33H68
Exact Mass
Calculate m/z
464.532101
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
Roptrocerus xylophagorum (#2869225)
Insecta (#50557)
Evidence for a sex pheromone in bark beetle parasitoid Roptrocerus xylophagorum.,
J Chem Ecol, 2002
Pubmed ID: 12049226

String Representations

InChiKey (Click to copy)
LLZYIGVNUBLMOP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H68/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-30-33(4)31-28-25-27-29-32(3)6-2/h32-33H,5-31H2,1-4H3
SMILES (Click to copy)
CCC(C)CCCCCC(C)CCCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
6430060

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 579.46
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 12.83
Molar Refractivity 154.33

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Created at
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Updated at
16th Jun 2025