(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

C137H167N3O56 — CID 158533946

IUPAC(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
SMILESC=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)OC1C2CC3CC(C2)C(=O)OC1C3.C=C(C)C(=O)OC1COC(=O)O1.C=C(C)C(=O)OC1COC2C(O)COC12.C=C(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.C=C(C)C(=O)OCC1C2CC3C1OC(=O)C3(C#N)C2.C=C(C)C(=O)OCC1COC(=O)O1.C=C(C)C(=O)OCCC(C)C1COC(=O)O1.C=C(C)C(=O)OCCC1COC(=O)O1.C=C(C)C(=O)OCCCC1COC(=O)O1
InChIInChI=1S/C15H15NO6.C14H15NO4.C14H18O4.C13H13NO4.2C13H16O4.C11H16O5.2C10H14O5.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)12(16)18-5-9-8-3-10-11(9)19-13(17)14(10,4-8)6-15;1-7(2)13(15)18-12-9-3-8-4-10(6-9)14(16)17-11(12)5-8;1-6(2)11(15)17-9-7-3-8-10(9)18-12(16)13(8,4-7)5-14;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;1-7(2)10(12)14-5-4-8(3)9-6-15-11(13)16-9;1-5(2)10(12)15-7-4-14-8-6(11)3-13-9(7)8;1-7(2)9(11)13-5-3-4-8-6-14-10(12)15-8;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;8-11H,1,3-5H2,2H3;8-12H,1,3-6H2,2H3;7-10H,1,3-4H2,2H3;2*8-10H,1,3-6H2,2H3;8-9H,1,4-6H2,2-3H3;6-9,11H,1,3-4H2,2H3;8H,1,3-6H2,2H3;7H,1,3-5H2,2H3;6H,1,3-4H2,2H3;5H,1,3H2,2H3
InChIKeyHNSFPIMYNICEEZ-UHFFFAOYSA-N
MW2751.81 g/mol
LogP12.65
Rot. Bonds36

About (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

(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 (PubChem CID 158533946) has the molecular formula C137H167N3O56 and a molecular weight of 2751.81 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158533946
Molecular FormulaC137H167N3O56
Molecular Weight2751.81 g/mol
Exact Mass2750.03
IUPAC Name(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
SMILESC=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)OC1C2CC3CC(C2)C(=O)OC1C3.C=C(C)C(=O)OC1COC(=O)O1.C=C(C)C(=O)OC1COC2C(O)COC12.C=C(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.C=C(C)C(=O)OCC1C2CC3C1OC(=O)C3(C#N)C2.C=C(C)C(=O)OCC1COC(=O)O1.C=C(C)C(=O)OCCC(C)C1COC(=O)O1.C=C(C)C(=O)OCCC1COC(=O)O1.C=C(C)C(=O)OCCCC1COC(=O)O1
InChIInChI=1S/C15H15NO6.C14H15NO4.C14H18O4.C13H13NO4.2C13H16O4.C11H16O5.2C10H14O5.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)12(16)18-5-9-8-3-10-11(9)19-13(17)14(10,4-8)6-15;1-7(2)13(15)18-12-9-3-8-4-10(6-9)14(16)17-11(12)5-8;1-6(2)11(15)17-9-7-3-8-10(9)18-12(16)13(8,4-7)5-14;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;1-7(2)10(12)14-5-4-8(3)9-6-15-11(13)16-9;1-5(2)10(12)15-7-4-14-8-6(11)3-13-9(7)8;1-7(2)9(11)13-5-3-4-8-6-14-10(12)15-8;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;8-11H,1,3-5H2,2H3;8-12H,1,3-6H2,2H3;7-10H,1,3-4H2,2H3;2*8-10H,1,3-6H2,2H3;8-9H,1,4-6H2,2-3H3;6-9,11H,1,3-4H2,2H3;8H,1,3-6H2,2H3;7H,1,3-5H2,2H3;6H,1,3-4H2,2H3;5H,1,3H2,2H3
InChIKeyHNSFPIMYNICEEZ-UHFFFAOYSA-N
XLogP12.65
TPSA787.41 Ų
H-Bond Donors1
H-Bond Acceptors59
Rotatable Bonds36
Heavy Atoms196
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002751.81
LogP ≤ 512.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is 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)OC1C2CC3CC(C2)C(=O)OC1C3.C=C(C)C(=O)OC1COC(=O)O1.C=C(C)C(=O)OC1COC2C(O)COC12.C=C(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.C=C(C)C(=O)OCC1C2CC3C1OC(=O)C3(C#N)C2.C=C(C)C(=O)OCC1COC(=O)O1.C=C(C)C(=O)OCCC(C)C1COC(=O)O1.C=C(C)C(=O)OCCC1COC(=O)O1.C=C(C)C(=O)OCCCC1COC(=O)O1.
What is the InChIKey of (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?
The InChIKey is HNSFPIMYNICEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6.C14H15NO4.C14H18O4.C13H13NO4.2C13H16O4.C11H16O5.2C10H14O5.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)12(16)18-5-9-8-3-10-11(9)19-13(17)14(10,4-8)6-15;1-7(2)13(15)18-12-9-3-8-4-10(6-9)14(16)17-11(12)5-8;1-6(2)11(15)17-9-7-3-8-10(9)18-12(16)13(8,4-7)5-14;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;1-7(2)10(12)14-5-4-8(3)9-6-15-11(13)16-9;1-5(2)10(12)15-7-4-14-8-6(11)3-13-9(7)8;1-7(2)9(11)13-5-3-4-8-6-14-10(12)15-8;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;8-11H,1,3-5H2,2H3;8-12H,1,3-6H2,2H3;7-10H,1,3-4H2,2H3;2*8-10H,1,3-6H2,2H3;8-9H,1,4-6H2,2-3H3;6-9,11H,1,3-4H2,2H3;8H,1,3-6H2,2H3;7H,1,3-5H2,2H3;6H,1,3-4H2,2H3;5H,1,3H2,2H3.
What are the key properties of (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?
(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 has a molecular weight of 2751.81 g/mol, XLogP of 12.65, 36 rotatable bonds, 1 hydrogen bond donors, and 59 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)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 is sourced from PubChem (CID 158533946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).