Structure Database (LMSD)

Common Name
2E-Hexene
Systematic Name
2E-Hexene
Synonyms
LM ID
LMFA11000035
Formula
C6H12
Exact Mass
Calculate m/z
84.0939
Status
Active
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

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

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

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Created at
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Updated at
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