Structure Database (LMSD)

Common Name
3-Methylheptadecane
Systematic Name
3-Methylheptadecane
Synonyms
LM ID
LMFA11000397
Formula
C18H38
Exact Mass
Calculate m/z
254.297351
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
Linepithema humile (#83485)
Insecta (#50557)
Hydrocarbon constituents of three species of dolichoderine ants,
Insect Biochem, 1983

String Representations

InChiKey (Click to copy)
HPDKJRSKBCPMIY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H38/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(3)5-2/h18H,4-17H2,1-3H3
SMILES (Click to copy)
CCC(C)CCCCCCCCCCCCCC

Other Databases

PubChem CID
94321

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 319.96
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 7.12
Molar Refractivity 85.15

Admin

Created at
-
Updated at
11th Dec 2025