About (6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-cyclohexylpentan-3-yl 2-methylprop-2-enoate;2,3-dimethylpentan-3-yl 2-methylprop-2-enoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-cyclohexylpentan-3-yl 2-methylprop-2-enoate;2,3-dimethylpentan-3-yl 2-methylprop-2-enoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate (PubChem CID 167568721) has the molecular formula C208H292F3NO54S
and a molecular weight of 3759.64 g/mol. Its IUPAC name is (6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-cyclohexylpentan-3-yl 2-methylprop-2-enoate;2,3-dimethylpentan-3-yl 2-methylprop-2-enoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate.
Frequently Asked Questions
What is the IUPAC name of (6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-cyclohexylpentan-3-yl 2-methylprop-2-enoate;2,3-dimethylpentan-3-yl 2-methylprop-2-enoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate?
The IUPAC name of (6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-cyclohexylpentan-3-yl 2-methylprop-2-enoate;2,3-dimethylpentan-3-yl 2-methylprop-2-enoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate (CID 167568721) is (6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-cyclohexylpentan-3-yl 2-methylprop-2-enoate;2,3-dimethylpentan-3-yl 2-methylprop-2-enoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate.
What is the SMILES notation for (6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-cyclohexylpentan-3-yl 2-methylprop-2-enoate;2,3-dimethylpentan-3-yl 2-methylprop-2-enoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate?
The canonical SMILES for (6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-cyclohexylpentan-3-yl 2-methylprop-2-enoate;2,3-dimethylpentan-3-yl 2-methylprop-2-enoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(CC)C(C)C.C=C(C)C(=O)OC(C)C1(C)CCOC1=O.C=C(C)C(=O)OC(CC)(CC)C1CCCCC1.C=C(C)C(=O)OC1(C)CCCC1.C=C(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.C=C(C)C(=O)OC1(CC)CCCCCCC1.C=C(C)C(=O)OC1(c2ccccc2)CCCCC1.C=C(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.C=C(C)C(=O)OC1CC2CC1CC2CC(C)(O)C(F)(F)F.C=C(C)C(=O)OC1COC(=O)C1.C=C(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OCC(=O)OC1C2CC3C1OS(=O)(=O)C3C2.C=C(C)C(=O)OCC1COC(=O)O1.
What is the InChIKey of (6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-cyclohexylpentan-3-yl 2-methylprop-2-enoate;2,3-dimethylpentan-3-yl 2-methylprop-2-enoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate?
The InChIKey is FPQQRMLZQYCJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2.C16H24O2.C16H20O2.C15H21F3O3.C15H26O2.C14H16O6.C14H20O3.C14H24O2.C13H13NO4.C13H16O7S.C12H14O4.C11H16O4.C11H20O2.C10H16O2.C8H10O5.C8H10O4/c1-4-18(20-17(19)10(2)3)9-13-8-14(18)16-12-6-5-11(7-12)15(13)16;1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;1-13(2)15(17)18-16(11-7-4-8-12-16)14-9-5-3-6-10-14;1-8(2)13(19)21-12-6-9-4-10(12)5-11(9)7-14(3,20)15(16,17)18;1-5-15(6-2,17-14(16)12(3)4)13-10-8-7-9-11-13;1-6(2)13(16)18-5-10(15)19-11-7-3-8-9(4-7)14(17)20-12(8)11;1-9(2)12(15)17-14-6-10-3-11(7-14)5-13(16,4-10)8-14;1-4-14(16-13(15)12(2)3)10-8-6-5-7-9-11-14;1-6(2)11(15)17-9-7-3-8-10(9)18-12(16)13(8,4-7)5-14;1-6(2)13(15)18-5-10(14)19-11-7-3-8-9(4-7)21(16,17)20-12(8)11;1-5(2)11(13)15-9-6-3-7-8(4-6)12(14)16-10(7)9;1-7(2)9(12)15-8(3)11(4)5-6-14-10(11)13;1-7-11(6,9(4)5)13-10(12)8(2)3;1-8(2)9(11)12-10(3)6-4-5-7-10;1-5(2)7(9)11-3-6-4-12-8(10)13-6;1-5(2)8(10)12-6-3-7(9)11-4-6/h11-16H,2,4-9H2,1,3H3;11-14H,2,4-9H2,1,3H3;3,5-6,9-10H,1,4,7-8,11-12H2,2H3;9-12,20H,1,4-7H2,2-3H3;13H,3,5-11H2,1-2,4H3;7-9,11-12H,1,3-5H2,2H3;10-11,16H,1,3-8H2,2H3;2,4-11H2,1,3H3;7-10H,1,3-4H2,2H3;7-9,11-12H,1,3-5H2,2H3;6-10H,1,3-4H2,2H3;8H,1,5-6H2,2-4H3;9H,2,7H2,1,3-6H3;1,4-7H2,2-3H3;6H,1,3-4H2,2H3;6H,1,3-4H2,2H3.
What are the key properties of (6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-cyclohexylpentan-3-yl 2-methylprop-2-enoate;2,3-dimethylpentan-3-yl 2-methylprop-2-enoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate?
(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-cyclohexylpentan-3-yl 2-methylprop-2-enoate;2,3-dimethylpentan-3-yl 2-methylprop-2-enoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate has a molecular weight of 3759.64 g/mol, XLogP of 35.93, 49 rotatable bonds, 2 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-cyclohexylpentan-3-yl 2-methylprop-2-enoate;2,3-dimethylpentan-3-yl 2-methylprop-2-enoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate is sourced from PubChem (CID 167568721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).