Structure Database (LMSD)

Common Name
3,13-Dimethylhexadecane
Systematic Name
3,13-Dimethylhexadecane
Synonyms
LM ID
LMFA11000360
Formula
C18H38
Exact Mass
Calculate m/z
254.297351
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
Nepytia freemani (#942327)
Insecta (#50557)
3,13-Dimethylheptadecane: Major sex pheromone component of the western false hemlock looper,Nepytia freemani Munroe (Lepidoptera: Geometridae).,
J Chem Ecol, 1993
Pubmed ID: 24249179

String Representations

InChiKey (Click to copy)
XDFBSNGOKYBOTG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H38/c1-5-14-18(4)16-13-11-9-7-8-10-12-15-17(3)6-2/h17-18H,5-16H2,1-4H3
SMILES (Click to copy)
CCC(C)CCCCCCCCCC(C)CCC

Other Databases

PubChem CID
56936167

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 319.96
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 6.98
Molar Refractivity 85.08

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Created at
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Updated at
18th Nov 2025