Structure Database (LMSD)

Common Name
13,17-Dimethylhentriacontane
Systematic Name
13,17-Dimethylhentriacontane
Synonyms
LM ID
LMFA11000241
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
Gryllus pennsylvanicus (#51074)
Insecta (#50557)
Cuticular lipids of insects-VII. Cuticular hydrocarbons of the crickets Acheta a domesticus, gryllus pennsylvanicus and Nemobius fasciatus,
Comp Biochem Physiol B, 1976
Pubmed ID: 1277805

String Representations

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

Other Databases

PubChem CID
521776

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
10th Oct 2025