Structure Database (LMSD)
Common Name
Pentan-1-ol
Systematic Name
Pentan-1-ol
Synonyms
3D model of Pentan-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)
AMQJEAYHLZJPGS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
SMILES (Click to copy)
OCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
6
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
103.85
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
1.45
Molar Refractivity
27.10
Admin
Created at
-
Updated at
25th Apr 2022