Structure Database (LMSD)
Common Name
n-octanol
Systematic Name
Octan-1-ol
Synonyms
- 1-octanol
3D model of n-octanol
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)
KBPLFHHGFOOTCA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
SMILES (Click to copy)
OCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
155.75
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
2.62
Molar Refractivity
40.95
Admin
Created at
-
Updated at
25th Apr 2022