Structure Database (LMSD)

Common Name
3-Methyltridecane
Systematic Name
3-Methyltridecane
Synonyms
LM ID
LMFA11000408
Formula
C14H30
Exact Mass
Calculate m/z
198.234751
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Polyrhachis (#84544)
Insecta (#50557)
Volatile constituents of two species of Australian formicine ants of the genera Notoncus and Polyrhachis,
Insect Biochem, 1982

String Representations

InChiKey (Click to copy)
NLHRRMKILFRDGV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H30/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h14H,4-13H2,1-3H3
SMILES (Click to copy)
CCC(C)CCCCCCCCCC

Other Databases

PubChem CID
110848

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 250.76
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.56
Molar Refractivity 66.68

Admin

Created at
-
Updated at
17th Nov 2025