Structure Database (LMSD)
Common Name
Butan-1-ol
Systematic Name
Butan-1-ol
Synonyms
3D model of Butan-1-ol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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References
Comments
Pherobase
String Representations
InChiKey (Click to copy)
LRHPLDYGYMQRHN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
SMILES (Click to copy)
OCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
5
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
86.55
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
1.06
Molar Refractivity
22.48
Admin
Created at
-
Updated at
25th Apr 2022