Structure Database (LMSD)

Common Name
2-Methylenebutan-1-ol
Systematic Name
2-Methylenebutan-1-ol
Synonyms
LM ID
LMFA05000105
Formula
Exact Mass
Calculate m/z
86.073165
Sum Composition
Status
Active

Classification

Category
Main Class
Sub Class

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
JKLUVCHKXQJGIG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O/c1-3-5(2)4-6/h6H,2-4H2,1H3
SMILES (Click to copy)
OCC(=C)CC

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 6
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 101.21
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 1.23
Molar Refractivity 27.01

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Created at
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Updated at
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