Structure Database (LMSD)
Common Name
Bolekolic acid
Systematic Name
8-Hydroxy-13E-octadecen-9,11-diynoic acid
Synonyms
- 8-Hydroxy-E-13-octadecen-9,11-diynoic acid
- 8-Hydroxy-E-13-octadecen-9,11-diinsaeure
- 8-Hydroxyoctadec-13t-en-9,11-diynoic acid
- 8-Hydroxyoctadec-13t-en-9,11-diinsaeure
- 8-Hydroxyoctadeca-13t-en-10,12-diynoic acid
- 8-Hydroxyoctadeca-13t-en-10,12-diinsaeure
- 8-Hydroxy-13t-octadecen-10,12-diynoic acid
- 8-Hydroxy-13t-octadecen-10,12-diinsaeure
3D model of Bolekolic 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)
BFYLXOBBDBQUMB-AATRIKPKSA-N
InChi (Click to copy)
InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h5-6,17,19H,2-4,9-10,12-13,15-16H2,1H3,(H,20,21)/b6-5+
SMILES (Click to copy)
C(CCCCCCC(O)C#CC#C/C=C/CCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
330.49
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
3.81
Molar Refractivity
86.07
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Created at
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Updated at
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