bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;(5,5-dioxo-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;6-(1-hydroxy-2-methylprop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;2-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate;(4-oxo-5-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylprop-2-enoate

C141H169N3O59S3 — CID 161014202

IUPACbis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;(5,5-dioxo-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;6-(1-hydroxy-2-methylprop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;2-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate;(4-oxo-5-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=C)OCC(=O)OC1C2CC3C(O2)C1OS3(=O)=O.C=C(C)C(=C)OCC(=O)OC1C2CC3C(S2)C1OS3(=O)=O.C=C(C)C(=O)OC12CC3CC(C1)C(=O)OC2C3.C=C(C)C(=O)OC12CC3CC(C1)OC(=O)C2C3.C=C(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.C=C(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.C=C(C)C(=O)OC1C2CC3CC(C2)C(=O)OC1C3.C=C(C)C(=O)OC1COC(=O)O1.C=C(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.C=C(C)C(=O)OCC1COC(=O)O1.C=C(C)C(=O)OCCC1COC(=O)O1.C=C(C)C(O)OC1COC2C(O)COC12
InChIInChI=1S/C15H15NO6.C14H18O4.2C13H13NO4.C13H16O7S.C13H16O6S2.2C13H16O4.C10H16O5.C9H12O5.C8H10O5.C7H8O5/c1-7(2)13(18)20-5-10(17)21-11-8-3-9-12(11)22-14(19)15(9,4-8)6-16;1-7(2)13(15)18-12-9-3-8-4-10(6-9)14(16)17-11(12)5-8;2*1-6(2)11(15)17-9-7-3-8-10(9)18-12(16)13(8,4-7)5-14;1-6(2)7(3)17-5-10(14)19-11-8-4-9-12(18-8)13(11)20-21(9,15)16;1-6(2)7(3)17-5-10(14)18-11-8-4-9-13(20-8)12(11)19-21(9,15)16;1-7(2)11(14)17-13-5-8-3-9(6-13)16-12(15)10(13)4-8;1-7(2)11(14)17-13-5-8-3-9(6-13)12(15)16-10(13)4-8;1-5(2)10(12)15-7-4-14-8-6(11)3-13-9(7)8;1-6(2)8(10)12-4-3-7-5-13-9(11)14-7;1-5(2)7(9)11-3-6-4-12-8(10)13-6;1-4(2)6(8)11-5-3-10-7(9)12-5/h8-9,11-12H,1,3-5H2,2H3;8-12H,1,3-6H2,2H3;2*7-10H,1,3-4H2,2H3;2*8-9,11-13H,1,3-5H2,2H3;2*8-10H,1,3-6H2,2H3;6-12H,1,3-4H2,2H3;7H,1,3-5H2,2H3;6H,1,3-4H2,2H3;5H,1,3H2,2H3
InChIKeyTXMXTNAVMDRMGN-UHFFFAOYSA-N
MW2946.07 g/mol
LogP10.37
Rot. Bonds36

About bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;(5,5-dioxo-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;6-(1-hydroxy-2-methylprop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;2-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate;(4-oxo-5-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylprop-2-enoate

bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;(5,5-dioxo-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;6-(1-hydroxy-2-methylprop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;2-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate;(4-oxo-5-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylprop-2-enoate (PubChem CID 161014202) has the molecular formula C141H169N3O59S3 and a molecular weight of 2946.07 g/mol. Its IUPAC name is bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;(5,5-dioxo-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;6-(1-hydroxy-2-methylprop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;2-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate;(4-oxo-5-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Namebis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;(5,5-dioxo-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;6-(1-hydroxy-2-methylprop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;2-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate;(4-oxo-5-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylprop-2-enoate
PubChem CID161014202
Molecular FormulaC141H169N3O59S3
Molecular Weight2946.07 g/mol
Exact Mass2943.95
IUPAC Namebis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;(5,5-dioxo-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;6-(1-hydroxy-2-methylprop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;2-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate;(4-oxo-5-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=C)OCC(=O)OC1C2CC3C(O2)C1OS3(=O)=O.C=C(C)C(=C)OCC(=O)OC1C2CC3C(S2)C1OS3(=O)=O.C=C(C)C(=O)OC12CC3CC(C1)C(=O)OC2C3.C=C(C)C(=O)OC12CC3CC(C1)OC(=O)C2C3.C=C(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.C=C(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.C=C(C)C(=O)OC1C2CC3CC(C2)C(=O)OC1C3.C=C(C)C(=O)OC1COC(=O)O1.C=C(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.C=C(C)C(=O)OCC1COC(=O)O1.C=C(C)C(=O)OCCC1COC(=O)O1.C=C(C)C(O)OC1COC2C(O)COC12
InChIInChI=1S/C15H15NO6.C14H18O4.2C13H13NO4.C13H16O7S.C13H16O6S2.2C13H16O4.C10H16O5.C9H12O5.C8H10O5.C7H8O5/c1-7(2)13(18)20-5-10(17)21-11-8-3-9-12(11)22-14(19)15(9,4-8)6-16;1-7(2)13(15)18-12-9-3-8-4-10(6-9)14(16)17-11(12)5-8;2*1-6(2)11(15)17-9-7-3-8-10(9)18-12(16)13(8,4-7)5-14;1-6(2)7(3)17-5-10(14)19-11-8-4-9-12(18-8)13(11)20-21(9,15)16;1-6(2)7(3)17-5-10(14)18-11-8-4-9-13(20-8)12(11)19-21(9,15)16;1-7(2)11(14)17-13-5-8-3-9(6-13)16-12(15)10(13)4-8;1-7(2)11(14)17-13-5-8-3-9(6-13)12(15)16-10(13)4-8;1-5(2)10(12)15-7-4-14-8-6(11)3-13-9(7)8;1-6(2)8(10)12-4-3-7-5-13-9(11)14-7;1-5(2)7(9)11-3-6-4-12-8(10)13-6;1-4(2)6(8)11-5-3-10-7(9)12-5/h8-9,11-12H,1,3-5H2,2H3;8-12H,1,3-6H2,2H3;2*7-10H,1,3-4H2,2H3;2*8-9,11-13H,1,3-5H2,2H3;2*8-10H,1,3-6H2,2H3;6-12H,1,3-4H2,2H3;7H,1,3-5H2,2H3;6H,1,3-4H2,2H3;5H,1,3H2,2H3
InChIKeyTXMXTNAVMDRMGN-UHFFFAOYSA-N
XLogP10.37
TPSA833.94 Ų
H-Bond Donors2
H-Bond Acceptors63
Rotatable Bonds36
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002946.07
LogP ≤ 510.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;(5,5-dioxo-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;6-(1-hydroxy-2-methylprop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;2-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate;(4-oxo-5-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylprop-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2-methylprop-2-enoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-methylprop-2-enoate;3-(2-oxo-1,3-dioxolan-4-yl)butyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate;3-(2-oxo-1,3-dioxolan-4-yl)propyl 2-methylprop-2-enoate;(4-oxo-5-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylprop-2-enoate
CID 158533946
[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;methyl 9-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-4-oxotricyclo[4.2.1.03,7]nonane-2-carboxylate;methyl 1-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate
CID 158374521
(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;methyl 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]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;2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[3-(5-oxooxolan-3-yl)oxy-1-adamantyl] 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
CID 161253351
(2,3-dimethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate;8-hydroxy-3-methylidene-1-oxaspiro[4.5]decan-2-one;6-methyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one;methyl 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;(3-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate
CID 159904758
(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
(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-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;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 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
CID 160992315
[2-[[(8S)-6-cyano-8-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 155276478
4,5-dimethyl-3-methylideneoxolan-2-one;3-methylideneoxan-2-one;3-methylideneoxolan-2-one;4-methyl-3-methylideneoxolan-2-one;5-methyl-3-methylideneoxolan-2-one;(3-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-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;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate
CID 165054636
2-(1-adamantyl)butan-2-yl 2-methylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate
CID 161220488
(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxymethyl 2-methyl-3-sulfanylpropanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxymethyl 2-methyl-3-sulfanylpropanoate;(1-ethyl-4-oxocyclohexyl) 2-methyl-3-sulfanylpropanoate;(4-methyloxan-4-yl) 2-methyl-3-sulfanylpropanoate;(4-methyl-2-oxooxan-4-yl) 2-methyl-3-sulfanylpropanoate;1,3-oxathian-6-yl 2-methyl-3-sulfanylpropanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxymethyl 2-methyl-3-sulfanylpropanoate;[1-(5-oxooxolan-2-yl)cyclohexyl] 2-methyl-3-sulfanylpropanoate
CID 157102920
bis((4-tert-butyl-5-oxo-8-thia-4-azatricyclo[4.2.1.03,7]nonan-2-yl) 4-(2-methylprop-2-enoyloxy)butanoate);(4-tert-butyl-5-oxo-8-thia-4-azatricyclo[4.2.1.03,7]nonan-2-yl) 4-prop-2-enoyloxybutanoate;bis((5,5-dioxo-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonan-2-yl) 4-(2-methylprop-2-enoyloxy)butanoate);(5,5-dioxo-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonan-2-yl) 4-prop-2-enoyloxybutanoate
CID 159884706
(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-6-carbonitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carbonitrile;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 157465358

Frequently Asked Questions

What is the IUPAC name of bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;(5,5-dioxo-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;6-(1-hydroxy-2-methylprop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;2-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate;(4-oxo-5-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;(5,5-dioxo-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;6-(1-hydroxy-2-methylprop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;2-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate;(4-oxo-5-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylprop-2-enoate (CID 161014202) is bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;(5,5-dioxo-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;6-(1-hydroxy-2-methylprop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;2-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate;(4-oxo-5-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;(5,5-dioxo-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;6-(1-hydroxy-2-methylprop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;2-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate;(4-oxo-5-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;(5,5-dioxo-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;6-(1-hydroxy-2-methylprop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;2-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate;(4-oxo-5-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=C)OCC(=O)OC1C2CC3C(O2)C1OS3(=O)=O.C=C(C)C(=C)OCC(=O)OC1C2CC3C(S2)C1OS3(=O)=O.C=C(C)C(=O)OC12CC3CC(C1)C(=O)OC2C3.C=C(C)C(=O)OC12CC3CC(C1)OC(=O)C2C3.C=C(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.C=C(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.C=C(C)C(=O)OC1C2CC3CC(C2)C(=O)OC1C3.C=C(C)C(=O)OC1COC(=O)O1.C=C(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.C=C(C)C(=O)OCC1COC(=O)O1.C=C(C)C(=O)OCCC1COC(=O)O1.C=C(C)C(O)OC1COC2C(O)COC12.
What is the InChIKey of bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;(5,5-dioxo-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;6-(1-hydroxy-2-methylprop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;2-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate;(4-oxo-5-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylprop-2-enoate?
The InChIKey is TXMXTNAVMDRMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6.C14H18O4.2C13H13NO4.C13H16O7S.C13H16O6S2.2C13H16O4.C10H16O5.C9H12O5.C8H10O5.C7H8O5/c1-7(2)13(18)20-5-10(17)21-11-8-3-9-12(11)22-14(19)15(9,4-8)6-16;1-7(2)13(15)18-12-9-3-8-4-10(6-9)14(16)17-11(12)5-8;2*1-6(2)11(15)17-9-7-3-8-10(9)18-12(16)13(8,4-7)5-14;1-6(2)7(3)17-5-10(14)19-11-8-4-9-12(18-8)13(11)20-21(9,15)16;1-6(2)7(3)17-5-10(14)18-11-8-4-9-13(20-8)12(11)19-21(9,15)16;1-7(2)11(14)17-13-5-8-3-9(6-13)16-12(15)10(13)4-8;1-7(2)11(14)17-13-5-8-3-9(6-13)12(15)16-10(13)4-8;1-5(2)10(12)15-7-4-14-8-6(11)3-13-9(7)8;1-6(2)8(10)12-4-3-7-5-13-9(11)14-7;1-5(2)7(9)11-3-6-4-12-8(10)13-6;1-4(2)6(8)11-5-3-10-7(9)12-5/h8-9,11-12H,1,3-5H2,2H3;8-12H,1,3-6H2,2H3;2*7-10H,1,3-4H2,2H3;2*8-9,11-13H,1,3-5H2,2H3;2*8-10H,1,3-6H2,2H3;6-12H,1,3-4H2,2H3;7H,1,3-5H2,2H3;6H,1,3-4H2,2H3;5H,1,3H2,2H3.
What are the key properties of bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;(5,5-dioxo-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;6-(1-hydroxy-2-methylprop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;2-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate;(4-oxo-5-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylprop-2-enoate?
bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;(5,5-dioxo-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;6-(1-hydroxy-2-methylprop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;2-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate;(4-oxo-5-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylprop-2-enoate has a molecular weight of 2946.07 g/mol, XLogP of 10.37, 36 rotatable bonds, 2 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;(5,5-dioxo-4-oxa-5λ6,8-dithiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(3-methylbuta-1,3-dien-2-yloxy)acetate;6-(1-hydroxy-2-methylprop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;2-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate;(2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate;(4-oxo-5-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.03,8]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 161014202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).