Structure Database (LMSD)
Common Name
16-hydroxy-5-hexadecenoic acid
Systematic Name
16-hydroxy-5-hexadecenoic acid
Synonyms
- 5-Hexadecenoic acid, 16-hydroxy-
- Delta5-Isoambrettolic acid
3D model of 16-hydroxy-5-hexadecenoic 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)
PRAQPIJZMJJKAO-SOFGYWHQSA-N
InChi (Click to copy)
InChI=1S/C16H30O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h6,8,17H,1-5,7,9-15H2,(H,18,19)/b8-6+
SMILES (Click to copy)
C(CCC/C=C/CCCCCCCCCCO)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
306.45
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
4.59
Molar Refractivity
79.76
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Created at
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Updated at
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