Structure Database (LMSD)
Common Name
(E)-3-Octen-1-ol
Systematic Name
(3E)-oct-3-en-1-ol
Synonyms
3D model of (E)-3-Octen-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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String Representations
InChiKey (Click to copy)
YDXQPTHHAPCTPP-AATRIKPKSA-N
InChi (Click to copy)
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h5-6,9H,2-4,7-8H2,1H3/b6-5+
SMILES (Click to copy)
CCCC/C=C/CCO
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
153.11
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
2.40
Molar Refractivity
40.86
Admin
Created at
-
Updated at
25th Apr 2022