Structure Database (LMSD)
Common Name
12-hydroxy-5,8,10-heptadecatrienoic acid
Systematic Name
12-hydroxy-5,8,10-heptadecatrienoic acid
Synonyms
3D model of 12-hydroxy-5,8,10-heptadecatrienoic 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
String Representations
InChiKey (Click to copy)
KUKJHGXXZWHSBG-GMPNNLDHSA-N
InChi (Click to copy)
InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5+,8-6+,14-11+
SMILES (Click to copy)
C(CCC/C=C/C/C=C/C=C/C(O)CCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
318.47
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
4.53
Molar Refractivity
84.18
Admin
Created at
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Updated at
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