[4-[[3,5-bis[[4-(isocyanatomethyl)cyclohexyl]methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]cyclohexyl]methyl cyanate;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] 8-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]octanoate;[3-prop-2-enoyloxy-2-[3-[1,3,3-trimethyl-5-[[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxycarbonylamino]cyclohexyl]propanoyloxy]propyl] 2-methylprop-2-enoate;2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate

C118H159N11O43 — CID 158832883

About [4-[[3,5-bis[[4-(isocyanatomethyl)cyclohexyl]methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]cyclohexyl]methyl cyanate;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] 8-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]octanoate;[3-prop-2-enoyloxy-2-[3-[1,3,3-trimethyl-5-[[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxycarbonylamino]cyclohexyl]propanoyloxy]propyl] 2-methylprop-2-enoate;2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate

[4-[[3,5-bis[[4-(isocyanatomethyl)cyclohexyl]methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]cyclohexyl]methyl cyanate;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] 8-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]octanoate;[3-prop-2-enoyloxy-2-[3-[1,3,3-trimethyl-5-[[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxycarbonylamino]cyclohexyl]propanoyloxy]propyl] 2-methylprop-2-enoate;2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate (PubChem CID 158832883) has the molecular formula C118H159N11O43 and a molecular weight of 2419.60 g/mol. Its IUPAC name is [4-[[3,5-bis[[4-(isocyanatomethyl)cyclohexyl]methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]cyclohexyl]methyl cyanate;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] 8-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]octanoate;[3-prop-2-enoyloxy-2-[3-[1,3,3-trimethyl-5-[[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxycarbonylamino]cyclohexyl]propanoyloxy]propyl] 2-methylprop-2-enoate;2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate.

Molecular Properties

• Compound Name: [4-[[3,5-bis[[4-(isocyanatomethyl)cyclohexyl]methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]cyclohexyl]methyl cyanate;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] 8-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]octanoate;[3-prop-2-enoyloxy-2-[3-[1,3,3-trimethyl-5-[[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxycarbonylamino]cyclohexyl]propanoyloxy]propyl] 2-methylprop-2-enoate;2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate
• PubChem CID: 158832883
• Molecular Formula: C118H159N11O43
• Molecular Weight: 2419.60 g/mol
• Exact Mass: 2418.06
• IUPAC Name: [4-[[3,5-bis[[4-(isocyanatomethyl)cyclohexyl]methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]cyclohexyl]methyl cyanate;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] 8-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]octanoate;[3-prop-2-enoyloxy-2-[3-[1,3,3-trimethyl-5-[[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxycarbonylamino]cyclohexyl]propanoyloxy]propyl] 2-methylprop-2-enoate;2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate
• SMILES: C=CC(=O)OCC(COC(=O)C(=C)C)OC(=O)CCC1(C)CC(NC(=O)OC(COC(=O)C=C)COC(=O)C(=C)C)CC(C)(C)C1.C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)CCCCCCCNC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCCn1c(=O)n(CCOC(=O)C=C)c(=O)n(CCOC(=O)C=C)c1=O.N#COCC1CCC(Cn2c(=O)n(CC3CCC(CN=C=O)CC3)c(=O)n(CC3CCC(CN=C=O)CC3)c2=O)CC1
• InChI: InChI=1S/C37H49NO16.C33H47NO12.C30H42N6O6.C18H21N3O9/c1-7-28(39)47-20-36(21-48-29(40)8-2,22-49-30(41)9-3)26-53-34(45)18-16-14-13-15-17-19-38-35(46)54-27-37(23-50-31(42)10-4,24-51-32(43)11-5)25-52-33(44)12-6;1-10-26(35)41-16-24(18-43-29(38)21(3)4)45-28(37)12-13-33(9)15-23(14-32(7,8)20-33)34-31(40)46-25(17-42-27(36)11-2)19-44-30(39)22(5)6;31-19-42-18-27-11-9-26(10-12-27)17-36-29(40)34(15-24-5-1-22(2-6-24)13-32-20-37)28(39)35(30(36)41)16-25-7-3-23(4-8-25)14-33-21-38;1-4-13(22)28-10-7-19-16(25)20(8-11-29-14(23)5-2)18(27)21(17(19)26)9-12-30-15(24)6-3/h7-12H,1-6,13-27H2,(H,38,46);10-11,23-25H,1-3,5,12-20H2,4,6-9H3,(H,34,40);22-27H,1-18H2;4-6H,1-3,7-12H2
• InChIKey: IXGPUKHAVZAUSS-UHFFFAOYSA-N
• XLogP: 8.12
• TPSA: 695.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 52
• Rotatable Bonds: 72
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2419.60
LogP ≤ 5	8.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[[3,5-bis[[4-(isocyanatomethyl)cyclohexyl]methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]cyclohexyl]methyl cyanate;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] 8-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]octanoate;[3-prop-2-enoyloxy-2-[3-[1,3,3-trimethyl-5-[[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxycarbonylamino]cyclohexyl]propanoyloxy]propyl] 2-methylprop-2-enoate;2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate?

The IUPAC name of [4-[[3,5-bis[[4-(isocyanatomethyl)cyclohexyl]methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]cyclohexyl]methyl cyanate;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] 8-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]octanoate;[3-prop-2-enoyloxy-2-[3-[1,3,3-trimethyl-5-[[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxycarbonylamino]cyclohexyl]propanoyloxy]propyl] 2-methylprop-2-enoate;2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate (CID 158832883) is [4-[[3,5-bis[[4-(isocyanatomethyl)cyclohexyl]methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]cyclohexyl]methyl cyanate;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] 8-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]octanoate;[3-prop-2-enoyloxy-2-[3-[1,3,3-trimethyl-5-[[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxycarbonylamino]cyclohexyl]propanoyloxy]propyl] 2-methylprop-2-enoate;2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate.

What is the SMILES notation for [4-[[3,5-bis[[4-(isocyanatomethyl)cyclohexyl]methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]cyclohexyl]methyl cyanate;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] 8-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]octanoate;[3-prop-2-enoyloxy-2-[3-[1,3,3-trimethyl-5-[[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxycarbonylamino]cyclohexyl]propanoyloxy]propyl] 2-methylprop-2-enoate;2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate?

The canonical SMILES for [4-[[3,5-bis[[4-(isocyanatomethyl)cyclohexyl]methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]cyclohexyl]methyl cyanate;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] 8-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]octanoate;[3-prop-2-enoyloxy-2-[3-[1,3,3-trimethyl-5-[[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxycarbonylamino]cyclohexyl]propanoyloxy]propyl] 2-methylprop-2-enoate;2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate is C=CC(=O)OCC(COC(=O)C(=C)C)OC(=O)CCC1(C)CC(NC(=O)OC(COC(=O)C=C)COC(=O)C(=C)C)CC(C)(C)C1.C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)CCCCCCCNC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCCn1c(=O)n(CCOC(=O)C=C)c(=O)n(CCOC(=O)C=C)c1=O.N#COCC1CCC(Cn2c(=O)n(CC3CCC(CN=C=O)CC3)c(=O)n(CC3CCC(CN=C=O)CC3)c2=O)CC1.

What is the InChIKey of [4-[[3,5-bis[[4-(isocyanatomethyl)cyclohexyl]methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]cyclohexyl]methyl cyanate;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] 8-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]octanoate;[3-prop-2-enoyloxy-2-[3-[1,3,3-trimethyl-5-[[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxycarbonylamino]cyclohexyl]propanoyloxy]propyl] 2-methylprop-2-enoate;2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate?

The InChIKey is IXGPUKHAVZAUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H49NO16.C33H47NO12.C30H42N6O6.C18H21N3O9/c1-7-28(39)47-20-36(21-48-29(40)8-2,22-49-30(41)9-3)26-53-34(45)18-16-14-13-15-17-19-38-35(46)54-27-37(23-50-31(42)10-4,24-51-32(43)11-5)25-52-33(44)12-6;1-10-26(35)41-16-24(18-43-29(38)21(3)4)45-28(37)12-13-33(9)15-23(14-32(7,8)20-33)34-31(40)46-25(17-42-27(36)11-2)19-44-30(39)22(5)6;31-19-42-18-27-11-9-26(10-12-27)17-36-29(40)34(15-24-5-1-22(2-6-24)13-32-20-37)28(39)35(30(36)41)16-25-7-3-23(4-8-25)14-33-21-38;1-4-13(22)28-10-7-19-16(25)20(8-11-29-14(23)5-2)18(27)21(17(19)26)9-12-30-15(24)6-3/h7-12H,1-6,13-27H2,(H,38,46);10-11,23-25H,1-3,5,12-20H2,4,6-9H3,(H,34,40);22-27H,1-18H2;4-6H,1-3,7-12H2.

What are the key properties of [4-[[3,5-bis[[4-(isocyanatomethyl)cyclohexyl]methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]cyclohexyl]methyl cyanate;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] 8-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]octanoate;[3-prop-2-enoyloxy-2-[3-[1,3,3-trimethyl-5-[[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxycarbonylamino]cyclohexyl]propanoyloxy]propyl] 2-methylprop-2-enoate;2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate?

[4-[[3,5-bis[[4-(isocyanatomethyl)cyclohexyl]methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]cyclohexyl]methyl cyanate;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] 8-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]octanoate;[3-prop-2-enoyloxy-2-[3-[1,3,3-trimethyl-5-[[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxycarbonylamino]cyclohexyl]propanoyloxy]propyl] 2-methylprop-2-enoate;2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate has a molecular weight of 2419.60 g/mol, XLogP of 8.12, 72 rotatable bonds, 2 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[3,5-bis[[4-(isocyanatomethyl)cyclohexyl]methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]cyclohexyl]methyl cyanate;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] 8-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]octanoate;[3-prop-2-enoyloxy-2-[3-[1,3,3-trimethyl-5-[[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxycarbonylamino]cyclohexyl]propanoyloxy]propyl] 2-methylprop-2-enoate;2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate is sourced from PubChem (CID 158832883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).