Structure Database (LMSD)

Common Name
2-Methylbutan-1-ol
Systematic Name
2-Methylbutan-1-ol
Synonyms
LM ID
LMFA05000104
Formula
C5H12O
Exact Mass
Calculate m/z
88.088815
Sum Composition
FOH 5:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Fusarium oxysporum (#5507)
Sordariomycetes (#147550)
Attractancy of Alcohols Isolated from Culture Filtrates of Fusarium Fungi for the Robine Bulb Mite, Rhizoglyphus robini CLAPAREDE (Acari : Acaridae), in Sand,
Appl Entomol Zool, 1990

String Representations

InChiKey (Click to copy)
QPRQEDXDYOZYLA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3
SMILES (Click to copy)
OCC(C)CC

Other Databases

Wikipedia
2-Methylbutan-1-ol
HMDB ID
HMDB0031527
CHEBI ID
48945
PubChem CID
8723

Calculated Physicochemical Properties

Heavy Atoms 6
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 103.85
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 1.31
Molar Refractivity 27.03

Admin

Created at
-
Updated at
8th Jan 2026