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-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propyl] 2-methylprop-2-enoate;1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate

C135H176O51 — CID 158914059

IUPACmethyl 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-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propyl] 2-methylprop-2-enoate;1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C(C)C)C1CC2CCC1O2.C=C(C)C(=O)OC(C)C1CC2CCC1O2.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCC(=O)OC1CC2CCC1O2.C=C(C)C(=O)OCC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCCC(=O)OC1CC2CCC1O2.C=C(C)C(=O)OCCC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OCCC1CC2CCC1O2
InChIInChI=1S/C17H20O8.C16H18O8.C15H18O6.C14H22O3.C13H16O5.C13H18O5.C12H16O5.2C12H18O3.C11H12O5/c1-7(2)15(19)23-5-4-10(18)24-13-8-6-9-12(11(8)16(20)22-3)17(21)25-14(9)13;1-6(2)14(18)22-5-9(17)23-12-7-4-8-11(10(7)15(19)21-3)16(20)24-13(8)12;1-6(2)13(16)20-5-9-7-4-8-11(10(7)14(17)19-3)15(18)21-12(8)9;1-8(2)13(17-14(15)9(3)4)11-7-10-5-6-12(11)16-10;1-6(2)12(14)16-4-3-7-9-5-8-11(17-9)10(7)18-13(8)15;1-8(2)13(15)16-6-5-12(14)18-11-7-9-3-4-10(11)17-9;1-7(2)12(14)15-6-11(13)17-10-5-8-3-4-9(10)16-8;1-7(2)12(13)14-8(3)10-6-9-4-5-11(10)15-9;1-8(2)12(13)14-6-5-9-7-10-3-4-11(9)15-10;1-4(2)10(12)15-8-6-3-5-7(14-6)9(8)16-11(5)13/h8-9,11-14H,1,4-6H2,2-3H3;7-8,10-13H,1,4-5H2,2-3H3;7-12H,1,4-5H2,2-3H3;8,10-13H,3,5-7H2,1-2,4H3;7-11H,1,3-5H2,2H3;9-11H,1,3-7H2,2H3;8-10H,1,3-6H2,2H3;8-11H,1,4-6H2,2-3H3;9-11H,1,3-7H2,2H3;5-9H,1,3H2,2H3
InChIKeyJGZUKIDLDPJYTE-UHFFFAOYSA-N
MW2614.84 g/mol
LogP11.25
Rot. Bonds41

About 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-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propyl] 2-methylprop-2-enoate;1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[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-9-carboxylate;methyl 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propyl] 2-methylprop-2-enoate;1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate (PubChem CID 158914059) has the molecular formula C135H176O51 and a molecular weight of 2614.84 g/mol. Its IUPAC name is 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-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propyl] 2-methylprop-2-enoate;1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl 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-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propyl] 2-methylprop-2-enoate;1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate
PubChem CID158914059
Molecular FormulaC135H176O51
Molecular Weight2614.84 g/mol
Exact Mass2613.12
IUPAC Namemethyl 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-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propyl] 2-methylprop-2-enoate;1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C(C)C)C1CC2CCC1O2.C=C(C)C(=O)OC(C)C1CC2CCC1O2.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCC(=O)OC1CC2CCC1O2.C=C(C)C(=O)OCC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCCC(=O)OC1CC2CCC1O2.C=C(C)C(=O)OCCC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OCCC1CC2CCC1O2
InChIInChI=1S/C17H20O8.C16H18O8.C15H18O6.C14H22O3.C13H16O5.C13H18O5.C12H16O5.2C12H18O3.C11H12O5/c1-7(2)15(19)23-5-4-10(18)24-13-8-6-9-12(11(8)16(20)22-3)17(21)25-14(9)13;1-6(2)14(18)22-5-9(17)23-12-7-4-8-11(10(7)15(19)21-3)16(20)24-13(8)12;1-6(2)13(16)20-5-9-7-4-8-11(10(7)14(17)19-3)15(18)21-12(8)9;1-8(2)13(17-14(15)9(3)4)11-7-10-5-6-12(11)16-10;1-6(2)12(14)16-4-3-7-9-5-8-11(17-9)10(7)18-13(8)15;1-8(2)13(15)16-6-5-12(14)18-11-7-9-3-4-10(11)17-9;1-7(2)12(14)15-6-11(13)17-10-5-8-3-4-9(10)16-8;1-7(2)12(13)14-8(3)10-6-9-4-5-11(10)15-9;1-8(2)12(13)14-6-5-9-7-10-3-4-11(9)15-10;1-4(2)10(12)15-8-6-3-5-7(14-6)9(8)16-11(5)13/h8-9,11-14H,1,4-6H2,2-3H3;7-8,10-13H,1,4-5H2,2-3H3;7-12H,1,4-5H2,2-3H3;8,10-13H,3,5-7H2,1-2,4H3;7-11H,1,3-5H2,2H3;9-11H,1,3-7H2,2H3;8-10H,1,3-6H2,2H3;8-11H,1,4-6H2,2-3H3;9-11H,1,3-7H2,2H3;5-9H,1,3H2,2H3
InChIKeyJGZUKIDLDPJYTE-UHFFFAOYSA-N
XLogP11.25
TPSA643.21 Ų
H-Bond Donors
H-Bond Acceptors51
Rotatable Bonds41
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002614.84
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze 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-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propyl] 2-methylprop-2-enoate;1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propyl] 2-methylprop-2-enoate;1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of 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-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propyl] 2-methylprop-2-enoate;1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate (CID 158914059) is 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-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propyl] 2-methylprop-2-enoate;1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for 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-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propyl] 2-methylprop-2-enoate;1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for 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-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propyl] 2-methylprop-2-enoate;1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(C(C)C)C1CC2CCC1O2.C=C(C)C(=O)OC(C)C1CC2CCC1O2.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCC(=O)OC1CC2CCC1O2.C=C(C)C(=O)OCC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCCC(=O)OC1CC2CCC1O2.C=C(C)C(=O)OCCC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OCCC1CC2CCC1O2.
What is the InChIKey of 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-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propyl] 2-methylprop-2-enoate;1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate?
The InChIKey is JGZUKIDLDPJYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O8.C16H18O8.C15H18O6.C14H22O3.C13H16O5.C13H18O5.C12H16O5.2C12H18O3.C11H12O5/c1-7(2)15(19)23-5-4-10(18)24-13-8-6-9-12(11(8)16(20)22-3)17(21)25-14(9)13;1-6(2)14(18)22-5-9(17)23-12-7-4-8-11(10(7)15(19)21-3)16(20)24-13(8)12;1-6(2)13(16)20-5-9-7-4-8-11(10(7)14(17)19-3)15(18)21-12(8)9;1-8(2)13(17-14(15)9(3)4)11-7-10-5-6-12(11)16-10;1-6(2)12(14)16-4-3-7-9-5-8-11(17-9)10(7)18-13(8)15;1-8(2)13(15)16-6-5-12(14)18-11-7-9-3-4-10(11)17-9;1-7(2)12(14)15-6-11(13)17-10-5-8-3-4-9(10)16-8;1-7(2)12(13)14-8(3)10-6-9-4-5-11(10)15-9;1-8(2)12(13)14-6-5-9-7-10-3-4-11(9)15-10;1-4(2)10(12)15-8-6-3-5-7(14-6)9(8)16-11(5)13/h8-9,11-14H,1,4-6H2,2-3H3;7-8,10-13H,1,4-5H2,2-3H3;7-12H,1,4-5H2,2-3H3;8,10-13H,3,5-7H2,1-2,4H3;7-11H,1,3-5H2,2H3;9-11H,1,3-7H2,2H3;8-10H,1,3-6H2,2H3;8-11H,1,4-6H2,2-3H3;9-11H,1,3-7H2,2H3;5-9H,1,3H2,2H3.
What are the key properties of 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-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propyl] 2-methylprop-2-enoate;1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[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-9-carboxylate;methyl 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propyl] 2-methylprop-2-enoate;1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate has a molecular weight of 2614.84 g/mol, XLogP of 11.25, 41 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 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-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)propyl] 2-methylprop-2-enoate;1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylprop-2-enoate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 158914059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).