Structure Database (LMSD)
Common Name
methyl 5R,6R-epoxy-9E-eicosen-7-ynoate
Systematic Name
methyl 5R,6R-epoxy-9E-eicosen-7-ynoate
Synonyms
3D model of methyl 5R,6R-epoxy-9E-eicosen-7-ynoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
IFPYWNUVVZGOJV-OKLSWEBGSA-N
InChi (Click to copy)
InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h12-13,19-20H,3-11,15,17-18H2,1-2H3/b13-12+/t19-,20-/m1/s1
SMILES (Click to copy)
C([C@H]1O[C@@H]1C#C/C=C/CCCCCCCCCC)CCC(OC)=O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
375.31
Topological Polar Surface Area
38.83
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
5.76
Molar Refractivity
99.70
Admin
Created at
-
Updated at
4th May 2021