(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

C132H155NO55 — CID 161253351

IUPAC(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
SMILESC=C(C)C(=O)OC12CC3CC(C1)CC(OC1COC(=O)C1)(C3)C2.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.C=C(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3(C(=O)OC)C2.C=C(C)C(=O)OCC1COC(=O)O1.C=C(C)C(=O)OCCOC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OCCOC1C2CC3C(=O)OC1C3O2
InChIInChI=1S/C18H24O5.C16H18O8.C14H16O6.C14H18O5.C13H13NO4.C13H14O7.C13H16O6.C12H14O4.C11H12O5.C8H10O5/c1-11(2)16(20)23-18-7-12-3-13(8-18)6-17(5-12,10-18)22-14-4-15(19)21-9-14;1-7(2)13(18)22-6-10(17)23-11-8-4-9-12(11)24-15(20)16(9,5-8)14(19)21-3;1-6(2)13(16)18-5-10(15)19-11-7-3-8-9(4-7)14(17)20-12(8)11;1-7(2)13(15)18-4-3-17-11-8-5-9-10(6-8)14(16)19-12(9)11;1-6(2)11(15)17-9-7-3-8-10(9)18-12(16)13(8,4-7)5-14;1-5(2)12(15)17-4-8(14)19-10-7-3-6-9(18-7)11(10)20-13(6)16;1-6(2)12(14)17-4-3-16-10-8-5-7-9(18-8)11(10)19-13(7)15;1-5(2)11(13)15-9-6-3-7-8(4-6)12(14)16-10(7)9;1-4(2)10(12)15-8-6-3-5-7(14-6)9(8)16-11(5)13;1-5(2)7(9)11-3-6-4-12-8(10)13-6/h12-14H,1,3-10H2,2H3;8-9,11-12H,1,4-6H2,2-3H3;7-9,11-12H,1,3-5H2,2H3;8-12H,1,3-6H2,2H3;7-10H,1,3-4H2,2H3;6-7,9-11H,1,3-4H2,2H3;7-11H,1,3-5H2,2H3;6-10H,1,3-4H2,2H3;5-9H,1,3H2,2H3;6H,1,3-4H2,2H3
InChIKeyVBOKFARUILPPFS-UHFFFAOYSA-N
MW2635.64 g/mol
LogP7.11
Rot. Bonds36

About (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

(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 (PubChem CID 161253351) has the molecular formula C132H155NO55 and a molecular weight of 2635.64 g/mol. Its IUPAC name is (6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;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.

Molecular Properties

Compound Name(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
PubChem CID161253351
Molecular FormulaC132H155NO55
Molecular Weight2635.64 g/mol
Exact Mass2633.94
IUPAC Name(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
SMILESC=C(C)C(=O)OC12CC3CC(C1)CC(OC1COC(=O)C1)(C3)C2.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.C=C(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3(C(=O)OC)C2.C=C(C)C(=O)OCC1COC(=O)O1.C=C(C)C(=O)OCCOC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OCCOC1C2CC3C(=O)OC1C3O2
InChIInChI=1S/C18H24O5.C16H18O8.C14H16O6.C14H18O5.C13H13NO4.C13H14O7.C13H16O6.C12H14O4.C11H12O5.C8H10O5/c1-11(2)16(20)23-18-7-12-3-13(8-18)6-17(5-12,10-18)22-14-4-15(19)21-9-14;1-7(2)13(18)22-6-10(17)23-11-8-4-9-12(11)24-15(20)16(9,5-8)14(19)21-3;1-6(2)13(16)18-5-10(15)19-11-7-3-8-9(4-7)14(17)20-12(8)11;1-7(2)13(15)18-4-3-17-11-8-5-9-10(6-8)14(16)19-12(9)11;1-6(2)11(15)17-9-7-3-8-10(9)18-12(16)13(8,4-7)5-14;1-5(2)12(15)17-4-8(14)19-10-7-3-6-9(18-7)11(10)20-13(6)16;1-6(2)12(14)17-4-3-16-10-8-5-7-9(18-8)11(10)19-13(7)15;1-5(2)11(13)15-9-6-3-7-8(4-6)12(14)16-10(7)9;1-4(2)10(12)15-8-6-3-5-7(14-6)9(8)16-11(5)13;1-5(2)7(9)11-3-6-4-12-8(10)13-6/h12-14H,1,3-10H2,2H3;8-9,11-12H,1,4-6H2,2-3H3;7-9,11-12H,1,3-5H2,2H3;8-12H,1,3-6H2,2H3;7-10H,1,3-4H2,2H3;6-7,9-11H,1,3-4H2,2H3;7-11H,1,3-5H2,2H3;6-10H,1,3-4H2,2H3;5-9H,1,3H2,2H3;6H,1,3-4H2,2H3
InChIKeyVBOKFARUILPPFS-UHFFFAOYSA-N
XLogP7.11
TPSA719.60 Ų
H-Bond Donors
H-Bond Acceptors56
Rotatable Bonds36
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002635.64
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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) 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 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) 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-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(2-ethyl-2-adamantyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate
CID 158586549
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
[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;tris((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;tris((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)
CID 157482281
[2-[(6-cyano-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;methyl 2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[1-oxo-1-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]propan-2-yl] 2,2-dimethylbutanoate;[3-oxo-3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]propyl] 2,2-dimethylbutanoate
CID 159737100
(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-adamantyloxymethyl 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(2-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
CID 158703331
(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 4-(2-methylprop-2-enoyloxy)butanoate
CID 59554771
(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 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;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
CID 158346449
bis([2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate);bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);2-[3-(2-hydroxypropan-2-yl)-1-adamantyl]propan-2-yl 2,2-dimethylbutanoate;bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate)
CID 158327451
[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate
CID 157109623

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;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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C(C)C(=O)OC12CC3CC(C1)CC(OC1COC(=O)C1)(C3)C2.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.C=C(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3(C(=O)OC)C2.C=C(C)C(=O)OCC1COC(=O)O1.C=C(C)C(=O)OCCOC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OCCOC1C2CC3C(=O)OC1C3O2.
What is the InChIKey of (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?
The InChIKey is VBOKFARUILPPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O5.C16H18O8.C14H16O6.C14H18O5.C13H13NO4.C13H14O7.C13H16O6.C12H14O4.C11H12O5.C8H10O5/c1-11(2)16(20)23-18-7-12-3-13(8-18)6-17(5-12,10-18)22-14-4-15(19)21-9-14;1-7(2)13(18)22-6-10(17)23-11-8-4-9-12(11)24-15(20)16(9,5-8)14(19)21-3;1-6(2)13(16)18-5-10(15)19-11-7-3-8-9(4-7)14(17)20-12(8)11;1-7(2)13(15)18-4-3-17-11-8-5-9-10(6-8)14(16)19-12(9)11;1-6(2)11(15)17-9-7-3-8-10(9)18-12(16)13(8,4-7)5-14;1-5(2)12(15)17-4-8(14)19-10-7-3-6-9(18-7)11(10)20-13(6)16;1-6(2)12(14)17-4-3-16-10-8-5-7-9(18-8)11(10)19-13(7)15;1-5(2)11(13)15-9-6-3-7-8(4-6)12(14)16-10(7)9;1-4(2)10(12)15-8-6-3-5-7(14-6)9(8)16-11(5)13;1-5(2)7(9)11-3-6-4-12-8(10)13-6/h12-14H,1,3-10H2,2H3;8-9,11-12H,1,4-6H2,2-3H3;7-9,11-12H,1,3-5H2,2H3;8-12H,1,3-6H2,2H3;7-10H,1,3-4H2,2H3;6-7,9-11H,1,3-4H2,2H3;7-11H,1,3-5H2,2H3;6-10H,1,3-4H2,2H3;5-9H,1,3H2,2H3;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;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?
(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 has a molecular weight of 2635.64 g/mol, XLogP of 7.11, 36 rotatable bonds, 0 hydrogen bond donors, and 56 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;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 is sourced from PubChem (CID 161253351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).