Structure Database (LMSD)

Common Name
2E-Hexene
Systematic Name
2E-Hexene
Synonyms
LM ID
LMFA11000035
Status
Active
Exact Mass
Calculate m/z
84.0939
Formula
C6H12
Show lipids differing only in stereochemistry/bond geometry
View MoNA MS spectra
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
RYPKRALMXUUNKS-HWKANZROSA-N
InChi (Click to copy)
InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
SMILES (Click to copy)
C/C=C/CCC

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
137755
PubChem CID
639661

Calculated Physicochemical Properties

Heavy Atoms 6
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 109.72
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 2.36
Molar Refractivity 29.72

Admin

Created at
-
Updated at
-