Structure Database (LMSD)

Common Name
13,17-Dimethylheptatriacontane
Systematic Name
13,17-Dimethylheptatriacontane
Synonyms
LM ID
LMFA11000242
Formula
C39H80
Exact Mass
Calculate m/z
548.626001
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 Achet a domesticus, gryllus pennsylvanicus and Nemobius fasciatus,
Comp Biochem Physiol B, 1976
Pubmed ID: 1277805

String Representations

InChiKey (Click to copy)
KVVOPMLJQVAOCC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C39H80/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-35-39(4)37-33-36-38(3)34-31-29-27-25-16-14-12-10-8-6-2/h38-39H,5-37H2,1-4H3
SMILES (Click to copy)
CCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
526109

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 0
Aromatic Rings 0
Rotatable Bonds 34
Van der Waals Molecular Volume 683.26
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 15.17
Molar Refractivity 182.04

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Created at
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Updated at
20th Jun 2025