Structure Database (LMSD)
Common Name
7-hydroxy-10E,16-heptadecadien-8-ynoic acid
Systematic Name
7-hydroxy-10E,16-heptadecadien-8-ynoic acid
Synonyms
- Acetylenic acids
- 10,16-Heptadecadien-8-ynoic acid, 7-hydroxy, (E)-
3D model of 7-hydroxy-10E,16-heptadecadien-8-ynoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
SKEXYIDHVDOQQP-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-10-13-16(18)14-11-9-12-15-17(19)20/h2,6-7,16,18H,1,3-5,8-9,11-12,14-15H2,(H,19,20)/b7-6+
SMILES (Click to copy)
C(CCCCCC(O)C#CC/C=C/CCCC=C)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
315.83
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
3.97
Molar Refractivity
82.82
Admin
Created at
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Updated at
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