Structure Database (LMSD)
Common Name
12S-HOME(9E)
Systematic Name
12S-hydroxy-9E-octadecenoic acid
Synonyms
- 9-Octadecenoic acid, 12-hydroxy-, [S-(E)]-
3D model of 12S-HOME(9E)
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)
WBHHMMIMDMUBKC-KQPPXVQYSA-N
InChi (Click to copy)
InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9+/t17-/m0/s1
SMILES (Click to copy)
C(CCCCCCC/C=C/C[C@@H](O)CCCCCC)(=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
Admin
Created at
-
Updated at
11th Oct 2024