Structure Database (LMSD)

Common Name
17-Methylheptatriacontane
Systematic Name
17-Methylheptatriacontane
Synonyms
LM ID
LMFA11000305
Formula
C38H78
Exact Mass
Calculate m/z
534.610351
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)
ZGCXBNSOYDLTKH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C38H78/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-38(3)36-34-32-30-28-26-24-19-17-15-13-11-9-7-5-2/h38H,4-37H2,1-3H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
53746599

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 0
Aromatic Rings 0
Rotatable Bonds 34
Van der Waals Molecular Volume 665.96
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 14.93
Molar Refractivity 177.49

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Created at
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Updated at
10th Oct 2025