Structure Database (LMSD)
Common Name
trans-alpha-octenoic acid
Systematic Name
2E-octenoic acid
Synonyms
- trans-2-octenoic acid
- C8:1n-6
3D model of trans-alpha-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)
CWMPPVPFLSZGCY-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+
SMILES (Click to copy)
C(CCC)C/C=C/C(=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