Structure Database (LMSD)
Common Name
(E)-4-Octenoic acid
Systematic Name
(4E)-oct-4-enoic acid
Synonyms
3D model of (E)-4-Octenoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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)
PFHBCQFBHMBAMC-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h4-5H,2-3,6-7H2,1H3,(H,9,10)/b5-4+
SMILES (Click to copy)
CCC/C=C/CCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
159.26
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.21
Molar Refractivity
40.92
Admin
Created at
-
Updated at
25th Apr 2022