Structure Database (LMSD)
Common Name
(5'-(but-3-en-1-yn-1-yl)-[2,2'-bithiophen]-5-yl)methanol
Systematic Name
(5'-(but-3-en-1-yn-1-yl)-[2,2'-bithiophen]-5-yl)methanol
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of (5'-(but-3-en-1-yn-1-yl)-[2,2'-bithiophen]-5-yl)methanol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
OWMCNWKJRDTTBD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H10OS2/c1-2-3-4-10-5-7-12(15-10)13-8-6-11(9-14)16-13/h2,5-8,14H,1,9H2
SMILES (Click to copy)
C1(CO)=CC=C(C2=CC=C(C#CC=C)S2)S1
References
Reference
Biosynthesis and function of polyacetylenes and allied natural products. Robert E. Minto and Brenda J. Blacklock. Progress in Lipid Research. Volume 47, Dec 2007, pp. 233-306.
https://www.sciencedirect.com/science/article/pii/S0163782708000155?via%3Dihub
https://www.sciencedirect.com/science/article/pii/S0163782708000155?via%3Dihub
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
2
Aromatic Rings
2
Rotatable Bonds
2
Van der Waals Molecular Volume
214.27
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
3.51
Molar Refractivity
70.63
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Created at
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Updated at
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