Structure Database (LMSD)

Common Name
3-Methylhexadecane
Systematic Name
3-Methylhexadecane
Synonyms
LM ID
LMFA11000398
Formula
C17H36
Exact Mass
Calculate m/z
240.281701
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
Messor pergandei (#458889)
Insecta (#50557)
Pygidial gland chemistry and potential alarm-recruitment function in column foraging, but not solitary, Nearctic Messor harvesting ants (Hymenoptera: Formicidae: Myrmicinae).,
J Insect Physiol, 2013
Pubmed ID: 23811189

String Representations

InChiKey (Click to copy)
WWPCLIMUTNKTDY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H36/c1-4-6-7-8-9-10-11-12-13-14-15-16-17(3)5-2/h17H,4-16H2,1-3H3
SMILES (Click to copy)
CCC(C)CCCCCCCCCCCCC

Other Databases

PubChem CID
93030

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 302.66
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 6.73
Molar Refractivity 80.53

Admin

Created at
-
Updated at
27th Nov 2025