bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 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;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate

C145H188N4O47 — CID 158365504

IUPACbicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 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;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OCC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCC1C2CC3C1OC(=O)C3C2C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OCCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCCC(=O)OC1CC2CCC1O2.N#CC1CC2CCC1C2.[C-]#[N+]C1C2CCC(C2)C1C#N.[C-]#[N+]CC1CC2CCC1C2
InChIInChI=1S/C22H28O8.C21H28O6.C17H20O8.C16H18O8.C15H18O6.C13H18O5.C9H10N2.C9H13N.C8H11N.3C5H8O2/c1-4-22(7-5-6-8-22)30-21(26)16-13-9-12-15(16)20(25)29-18(12)17(13)28-14(23)10-27-19(24)11(2)3;1-4-21(7-5-6-8-21)27-20(24)15-12-9-13-16(15)19(23)26-17(13)14(12)10-25-18(22)11(2)3;1-7(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(15)16-6-5-12(14)18-11-7-9-3-4-10(11)17-9;1-11-9-7-3-2-6(4-7)8(9)5-10;1-10-6-9-5-7-2-3-8(9)4-7;9-5-8-4-6-1-2-7(8)3-6;3*1-4(2)5(6)7-3/h12-13,15-18H,2,4-10H2,1,3H3;12-17H,2,4-10H2,1,3H3;8-9,11-14H,1,4-6H2,2-3H3;7-8,10-13H,1,4-5H2,2-3H3;7-12H,1,4-5H2,2-3H3;9-11H,1,3-7H2,2H3;6-9H,2-4H2;7-9H,2-6H2;6-8H,1-4H2;3*1H2,2-3H3
InChIKeyGTZCPUXAOFVJCW-UHFFFAOYSA-N
MW2739.08 g/mol
LogP15.67
Rot. Bonds37

About bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 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;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate

bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 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;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate (PubChem CID 158365504) has the molecular formula C145H188N4O47 and a molecular weight of 2739.08 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 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;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 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;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate
PubChem CID158365504
Molecular FormulaC145H188N4O47
Molecular Weight2739.08 g/mol
Exact Mass2737.24
IUPAC Namebicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 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;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OCC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCC1C2CC3C1OC(=O)C3C2C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OCCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCCC(=O)OC1CC2CCC1O2.N#CC1CC2CCC1C2.[C-]#[N+]C1C2CCC(C2)C1C#N.[C-]#[N+]CC1CC2CCC1C2
InChIInChI=1S/C22H28O8.C21H28O6.C17H20O8.C16H18O8.C15H18O6.C13H18O5.C9H10N2.C9H13N.C8H11N.3C5H8O2/c1-4-22(7-5-6-8-22)30-21(26)16-13-9-12-15(16)20(25)29-18(12)17(13)28-14(23)10-27-19(24)11(2)3;1-4-21(7-5-6-8-21)27-20(24)15-12-9-13-16(15)19(23)26-17(13)14(12)10-25-18(22)11(2)3;1-7(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(15)16-6-5-12(14)18-11-7-9-3-4-10(11)17-9;1-11-9-7-3-2-6(4-7)8(9)5-10;1-10-6-9-5-7-2-3-8(9)4-7;9-5-8-4-6-1-2-7(8)3-6;3*1-4(2)5(6)7-3/h12-13,15-18H,2,4-10H2,1,3H3;12-17H,2,4-10H2,1,3H3;8-9,11-14H,1,4-6H2,2-3H3;7-8,10-13H,1,4-5H2,2-3H3;7-12H,1,4-5H2,2-3H3;9-11H,1,3-7H2,2H3;6-9H,2-4H2;7-9H,2-6H2;6-8H,1-4H2;3*1H2,2-3H3
InChIKeyGTZCPUXAOFVJCW-UHFFFAOYSA-N
XLogP15.67
TPSA670.43 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds37
Heavy Atoms196
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002739.08
LogP ≤ 515.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 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;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 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;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate?
The IUPAC name of bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 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;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate (CID 158365504) is bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 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;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate.
What is the SMILES notation for bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 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;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate?
The canonical SMILES for bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 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;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OCC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCC1C2CC3C1OC(=O)C3C2C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OCCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCCC(=O)OC1CC2CCC1O2.N#CC1CC2CCC1C2.[C-]#[N+]C1C2CCC(C2)C1C#N.[C-]#[N+]CC1CC2CCC1C2.
What is the InChIKey of bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 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;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate?
The InChIKey is GTZCPUXAOFVJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O8.C21H28O6.C17H20O8.C16H18O8.C15H18O6.C13H18O5.C9H10N2.C9H13N.C8H11N.3C5H8O2/c1-4-22(7-5-6-8-22)30-21(26)16-13-9-12-15(16)20(25)29-18(12)17(13)28-14(23)10-27-19(24)11(2)3;1-4-21(7-5-6-8-21)27-20(24)15-12-9-13-16(15)19(23)26-17(13)14(12)10-25-18(22)11(2)3;1-7(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(15)16-6-5-12(14)18-11-7-9-3-4-10(11)17-9;1-11-9-7-3-2-6(4-7)8(9)5-10;1-10-6-9-5-7-2-3-8(9)4-7;9-5-8-4-6-1-2-7(8)3-6;3*1-4(2)5(6)7-3/h12-13,15-18H,2,4-10H2,1,3H3;12-17H,2,4-10H2,1,3H3;8-9,11-14H,1,4-6H2,2-3H3;7-8,10-13H,1,4-5H2,2-3H3;7-12H,1,4-5H2,2-3H3;9-11H,1,3-7H2,2H3;6-9H,2-4H2;7-9H,2-6H2;6-8H,1-4H2;3*1H2,2-3H3.
What are the key properties of bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 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;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate?
bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 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;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate has a molecular weight of 2739.08 g/mol, XLogP of 15.67, 37 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 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;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 158365504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).