Structure Database (LMSD)
Common Name
methyl 9,10-Epoxy-11,13-docosadiynoate
Systematic Name
methyl 9,10-Epoxy-docosa-11,13-diynoate
Synonyms
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
NFNUHDOFCNVCAD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H36O3/c1-3-4-5-6-7-8-9-10-12-15-18-21-22(26-21)19-16-13-11-14-17-20-23(24)25-2/h21-22H,3-9,11,13-14,16-17,19-20H2,1-2H3
SMILES (Click to copy)
C(C1OC1C#CC#CCCCCCCCC)CCCCCCC(OC)=O
References
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
1
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
407.27
Topological Polar Surface Area
38.83
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
5.99
Molar Refractivity
107.57
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Created at
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Updated at
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