Structure Database (LMSD)
Common Name
8R,9R-epoxy-17-octadecen-4,6-diynoic acid
Systematic Name
8R,9R-epoxy-17-octadecen-4,6-diynoic acid
Synonyms
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
CBZFXYOBKXTQJP-IAGOWNOFSA-N
InChi (Click to copy)
InChI=1S/C18H24O3/c1-2-3-4-5-6-7-10-13-16-17(21-16)14-11-8-9-12-15-18(19)20/h2,16-17H,1,3-7,10,12-13,15H2,(H,19,20)/t16-,17-/m1/s1
SMILES (Click to copy)
C(#CC#C[C@@H]1[C@@H](CCCCCCCC=C)O1)CCC(O)=O
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
318.13
Topological Polar Surface Area
49.83
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
4.11
Molar Refractivity
84.62
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Created at
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Updated at
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