Structure Database (LMSD)
Common Name
5Z,8Z,14Z-Eicosatrien-11-ynoic acid
Systematic Name
5Z,8Z,14Z-Eicosatrien-11-ynoic acid
Synonyms
- Acetylenic acids
3D model of 5Z,8Z,14Z-Eicosatrien-11-ynoic 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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String Representations
InChiKey (Click to copy)
VGCBBIXUNNBXPC-IJJPYCETSA-N
InChi (Click to copy)
InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,13-12-,16-15-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\CC#CC/C=C\CCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
356.30
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.66
Molar Refractivity
94.68
Admin
Created at
-
Updated at
25th Apr 2022