Structure Database (LMSD)

Common Name
4-Methyloctane
Systematic Name
4-Methyloctane
Synonyms
LM ID
LMFA11000433
Formula
C9H20
Exact Mass
Calculate m/z
128.1565
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Aphis aurantii (#464926)
Insecta (#50557)
Behavioral and electrophysiological responses of natural enemies to synomones from tea shoots and kairomones from tea aphids, Toxoptera aurantii.,
J Chem Ecol, 2002
Pubmed ID: 12523563

String Representations

InChiKey (Click to copy)
DOGIHOCMZJUJNR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3
SMILES (Click to copy)
CCCC(C)CCCC

Other Databases

PubChem CID
16665

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 164.26
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 3.61
Molar Refractivity 43.60

Admin

Created at
-
Updated at
18th Dec 2025