2-[3-[5-[[2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide;butyl-dimethyl-(2-trimethylsilyloxypropan-2-yloxy)silane;2-hydroxyethyl 2-methylprop-2-enoate;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;methane

C88H177N5O18Si6 — CID 160877261

About 2-[3-[5-[[2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide;butyl-dimethyl-(2-trimethylsilyloxypropan-2-yloxy)silane;2-hydroxyethyl 2-methylprop-2-enoate;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;methane

2-[3-[5-[[2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide;butyl-dimethyl-(2-trimethylsilyloxypropan-2-yloxy)silane;2-hydroxyethyl 2-methylprop-2-enoate;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;methane (PubChem CID 160877261) has the molecular formula C88H177N5O18Si6 and a molecular weight of 1761.92 g/mol. Its IUPAC name is 2-[3-[5-[[2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide;butyl-dimethyl-(2-trimethylsilyloxypropan-2-yloxy)silane;2-hydroxyethyl 2-methylprop-2-enoate;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;methane.

Molecular Properties

• Compound Name: 2-[3-[5-[[2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide;butyl-dimethyl-(2-trimethylsilyloxypropan-2-yloxy)silane;2-hydroxyethyl 2-methylprop-2-enoate;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;methane
• PubChem CID: 160877261
• Molecular Formula: C88H177N5O18Si6
• Molecular Weight: 1761.92 g/mol
• Exact Mass: 1760.17
• IUPAC Name: 2-[3-[5-[[2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide;butyl-dimethyl-(2-trimethylsilyloxypropan-2-yloxy)silane;2-hydroxyethyl 2-methylprop-2-enoate;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;methane
• SMILES: C.C.C.C=C(C)C(=O)OCCO.C=C(C)C(=O)OCCOC(=O)CCC1(C)CC(NC(=O)C[Si](C)(C)OC(C)(C)O[Si](C)(C)CCCC)CC(C)(C)C1.CC1(C)CC(OC#N)CC(C)(CN=C=O)C1.CCCC[Si](C)(C)OC(C)(C)O[Si](C)(C)C.CCCC[Si](C)(C)OC(C)(C)O[Si](C)(C)CC(=O)NC1CC(C)(C)CC(C)(CN=C=O)C1
• InChI: InChI=1S/C31H59NO7Si2.C24H48N2O4Si2.C12H18N2O2.C12H30O2Si2.C6H10O3.3CH4/c1-13-14-19-40(9,10)38-30(6,7)39-41(11,12)22-26(33)32-25-20-29(4,5)23-31(8,21-25)16-15-27(34)36-17-18-37-28(35)24(2)3;1-11-12-13-31(7,8)29-23(4,5)30-32(9,10)16-21(28)26-20-14-22(2,3)17-24(6,15-20)18-25-19-27;1-11(2)4-10(16-8-13)5-12(3,6-11)7-14-9-15;1-9-10-11-16(7,8)14-12(2,3)13-15(4,5)6;1-5(2)6(8)9-4-3-7;;;/h25H,2,13-23H2,1,3-12H3,(H,32,33);20H,11-18H2,1-10H3,(H,26,28);10H,4-7H2,1-3H3;9-11H2,1-8H3;7H,1,3-4H2,2H3;3*1H4
• InChIKey: SMOGNQPVMPKHEK-UHFFFAOYSA-N
• XLogP: 22.12
• TPSA: 304.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 42
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1761.92
LogP ≤ 5	22.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[[2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide;butyl-dimethyl-(2-trimethylsilyloxypropan-2-yloxy)silane;2-hydroxyethyl 2-methylprop-2-enoate;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;methane?

The IUPAC name of 2-[3-[5-[[2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide;butyl-dimethyl-(2-trimethylsilyloxypropan-2-yloxy)silane;2-hydroxyethyl 2-methylprop-2-enoate;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;methane (CID 160877261) is 2-[3-[5-[[2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide;butyl-dimethyl-(2-trimethylsilyloxypropan-2-yloxy)silane;2-hydroxyethyl 2-methylprop-2-enoate;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;methane.

What is the SMILES notation for 2-[3-[5-[[2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide;butyl-dimethyl-(2-trimethylsilyloxypropan-2-yloxy)silane;2-hydroxyethyl 2-methylprop-2-enoate;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;methane?

The canonical SMILES for 2-[3-[5-[[2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide;butyl-dimethyl-(2-trimethylsilyloxypropan-2-yloxy)silane;2-hydroxyethyl 2-methylprop-2-enoate;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;methane is C.C.C.C=C(C)C(=O)OCCO.C=C(C)C(=O)OCCOC(=O)CCC1(C)CC(NC(=O)C[Si](C)(C)OC(C)(C)O[Si](C)(C)CCCC)CC(C)(C)C1.CC1(C)CC(OC#N)CC(C)(CN=C=O)C1.CCCC[Si](C)(C)OC(C)(C)O[Si](C)(C)C.CCCC[Si](C)(C)OC(C)(C)O[Si](C)(C)CC(=O)NC1CC(C)(C)CC(C)(CN=C=O)C1.

What is the InChIKey of 2-[3-[5-[[2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide;butyl-dimethyl-(2-trimethylsilyloxypropan-2-yloxy)silane;2-hydroxyethyl 2-methylprop-2-enoate;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;methane?

The InChIKey is SMOGNQPVMPKHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H59NO7Si2.C24H48N2O4Si2.C12H18N2O2.C12H30O2Si2.C6H10O3.3CH4/c1-13-14-19-40(9,10)38-30(6,7)39-41(11,12)22-26(33)32-25-20-29(4,5)23-31(8,21-25)16-15-27(34)36-17-18-37-28(35)24(2)3;1-11-12-13-31(7,8)29-23(4,5)30-32(9,10)16-21(28)26-20-14-22(2,3)17-24(6,15-20)18-25-19-27;1-11(2)4-10(16-8-13)5-12(3,6-11)7-14-9-15;1-9-10-11-16(7,8)14-12(2,3)13-15(4,5)6;1-5(2)6(8)9-4-3-7;;;/h25H,2,13-23H2,1,3-12H3,(H,32,33);20H,11-18H2,1-10H3,(H,26,28);10H,4-7H2,1-3H3;9-11H2,1-8H3;7H,1,3-4H2,2H3;3*1H4.

What are the key properties of 2-[3-[5-[[2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide;butyl-dimethyl-(2-trimethylsilyloxypropan-2-yloxy)silane;2-hydroxyethyl 2-methylprop-2-enoate;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;methane?

2-[3-[5-[[2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide;butyl-dimethyl-(2-trimethylsilyloxypropan-2-yloxy)silane;2-hydroxyethyl 2-methylprop-2-enoate;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;methane has a molecular weight of 1761.92 g/mol, XLogP of 22.12, 42 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-[[2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]acetyl]amino]-1,3,3-trimethylcyclohexyl]propanoyloxy]ethyl 2-methylprop-2-enoate;2-[2-[butyl(dimethyl)silyl]oxypropan-2-yloxy-dimethylsilyl]-N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]acetamide;butyl-dimethyl-(2-trimethylsilyloxypropan-2-yloxy)silane;2-hydroxyethyl 2-methylprop-2-enoate;[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl] cyanate;methane is sourced from PubChem (CID 160877261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).