Structure Database (LMSD)
Common Name
8-HOME(9)
Systematic Name
8-hydroxy-9-octadecenoic acid
Synonyms
- 9-Octadecenoic acid, 8-hydroxy-
3D model of 8-HOME(9)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
JEXIZLHRWZNJIX-SDNWHVSQSA-N
InChi (Click to copy)
InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+
SMILES (Click to copy)
C(CCCCCCC(O)/C=C/CCCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
341.05
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.37
Molar Refractivity
88.99
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Created at
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Updated at
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