Structure Database (LMSD)

Common Name
13-Methyl-1-hentriacontene
Systematic Name
13-Methyl-1-hentriacontene
Synonyms
LM ID
LMFA11000257
Formula
C32H64
Exact Mass
Calculate m/z
448.500801
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View studies deposited in Metabolomics Workbench in which this molecule has been identified

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Stomoxys calcitrans (#35570)
Insecta (#50557)
SEX PHEROMONE OF THE STABLE FLY 1 Identification, Synthesis, and Evaluation of Alkenes from Female Stable Flies,
J Chem Ecol, 1979

String Representations

InChiKey (Click to copy)
NGPWWRXWHSVOEI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C32H64/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-32(3)30-28-26-24-22-15-13-11-9-7-5-2/h5,32H,2,4,6-31H2,1,3H3
SMILES (Click to copy)
C=CCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCC

Other Databases

CHEBI ID
165729
PubChem CID
56936156

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 559.52
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 12.36
Molar Refractivity 149.69

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Created at
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Updated at
9th Dec 2025