Structure Database (LMSD)

Common Name
13-Methylpentatriacontane
Systematic Name
13-Methylpentatriacontane
Synonyms
LM ID
LMFA11000267
Formula
C36H74
Exact Mass
Calculate m/z
506.579051
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
Acheta domesticus (#6997)
Insecta (#50557)
Cuticular lipids of insects—VII Cuticular hydrocarbons of the crickets Achet a domesticus, gryllus pennsylvanicus and Nemobius fasciatus,
Comp Biochem Physiol B, 1976
Pubmed ID: 1277805

String Representations

InChiKey (Click to copy)
IXXACAXSWIYIOR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C36H74/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-36(3)34-32-30-28-26-15-13-11-9-7-5-2/h36H,4-35H2,1-3H3
SMILES (Click to copy)
CCCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
56936158

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 631.36
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 14.15
Molar Refractivity 168.26

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Created at
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Updated at
16th Jun 2025