tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;2-chloro-3-iodoquinoline;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol;bis(3-iodo-4a,8a-dihydro-1H-quinolin-2-one);methane

C116H144BClI3N9O17Si3 — CID 158508858

About tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;2-chloro-3-iodoquinoline;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol;bis(3-iodo-4a,8a-dihydro-1H-quinolin-2-one);methane

tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;2-chloro-3-iodoquinoline;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol;bis(3-iodo-4a,8a-dihydro-1H-quinolin-2-one);methane (PubChem CID 158508858) has the molecular formula C116H144BClI3N9O17Si3 and a molecular weight of 2447.71 g/mol. Its IUPAC name is tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;2-chloro-3-iodoquinoline;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol;bis(3-iodo-4a,8a-dihydro-1H-quinolin-2-one);methane.

Molecular Properties

• Compound Name: tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;2-chloro-3-iodoquinoline;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol;bis(3-iodo-4a,8a-dihydro-1H-quinolin-2-one);methane
• PubChem CID: 158508858
• Molecular Formula: C116H144BClI3N9O17Si3
• Molecular Weight: 2447.71 g/mol
• Exact Mass: 2445.69
• IUPAC Name: tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;2-chloro-3-iodoquinoline;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol;bis(3-iodo-4a,8a-dihydro-1H-quinolin-2-one);methane
• SMILES: C.C.CC(C)(C)OC(=O)n1c(-c2cc3ccccc3[nH]c2=O)cc2cc(CO[Si](C)(C)C(C)(C)C)ccc21.CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(CO[Si](C)(C)C(C)(C)C)ccc21.CC(C)(C)OC(=O)n1ccc2cc(CO[Si](C)(C)C(C)(C)C)ccc21.Clc1nc2ccccc2cc1I.O=C(O)c1ccc2[nH]ccc2c1.O=C1NC2C=CC=CC2C=C1I.O=C1NC2C=CC=CC2C=C1I.OCc1ccc2[nH]ccc2c1
• InChI: InChI=1S/C29H36N2O4Si.C20H32BNO5Si.C20H31NO3Si.C9H5ClIN.2C9H8INO.C9H7NO2.C9H9NO.2CH4/c1-28(2,3)35-27(33)31-24-14-13-19(18-34-36(7,8)29(4,5)6)15-21(24)17-25(31)22-16-20-11-9-10-12-23(20)30-26(22)32;1-19(2,3)27-18(23)22-16-10-9-14(11-15(16)12-17(22)21(24)25)13-26-28(7,8)20(4,5)6;1-19(2,3)24-18(22)21-12-11-16-13-15(9-10-17(16)21)14-23-25(7,8)20(4,5)6;10-9-7(11)5-6-3-1-2-4-8(6)12-9;2*10-7-5-6-3-1-2-4-8(6)11-9(7)12;11-9(12)7-1-2-8-6(5-7)3-4-10-8;11-6-7-1-2-9-8(5-7)3-4-10-9;;/h9-17H,18H2,1-8H3,(H,30,32);9-12,24-25H,13H2,1-8H3;9-13H,14H2,1-8H3;1-5H;2*1-6,8H,(H,11,12);1-5,10H,(H,11,12);1-5,10-11H,6H2;2*1H4
• InChIKey: HKUKBZOKFLVHTL-UHFFFAOYSA-N
• XLogP: 28.41
• TPSA: 354.90 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2447.71
LogP ≤ 5	28.41
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;2-chloro-3-iodoquinoline;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol;bis(3-iodo-4a,8a-dihydro-1H-quinolin-2-one);methane?

The IUPAC name of tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;2-chloro-3-iodoquinoline;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol;bis(3-iodo-4a,8a-dihydro-1H-quinolin-2-one);methane (CID 158508858) is tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;2-chloro-3-iodoquinoline;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol;bis(3-iodo-4a,8a-dihydro-1H-quinolin-2-one);methane.

What is the SMILES notation for tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;2-chloro-3-iodoquinoline;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol;bis(3-iodo-4a,8a-dihydro-1H-quinolin-2-one);methane?

The canonical SMILES for tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;2-chloro-3-iodoquinoline;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol;bis(3-iodo-4a,8a-dihydro-1H-quinolin-2-one);methane is C.C.CC(C)(C)OC(=O)n1c(-c2cc3ccccc3[nH]c2=O)cc2cc(CO[Si](C)(C)C(C)(C)C)ccc21.CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(CO[Si](C)(C)C(C)(C)C)ccc21.CC(C)(C)OC(=O)n1ccc2cc(CO[Si](C)(C)C(C)(C)C)ccc21.Clc1nc2ccccc2cc1I.O=C(O)c1ccc2[nH]ccc2c1.O=C1NC2C=CC=CC2C=C1I.O=C1NC2C=CC=CC2C=C1I.OCc1ccc2[nH]ccc2c1.

What is the InChIKey of tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;2-chloro-3-iodoquinoline;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol;bis(3-iodo-4a,8a-dihydro-1H-quinolin-2-one);methane?

The InChIKey is HKUKBZOKFLVHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O4Si.C20H32BNO5Si.C20H31NO3Si.C9H5ClIN.2C9H8INO.C9H7NO2.C9H9NO.2CH4/c1-28(2,3)35-27(33)31-24-14-13-19(18-34-36(7,8)29(4,5)6)15-21(24)17-25(31)22-16-20-11-9-10-12-23(20)30-26(22)32;1-19(2,3)27-18(23)22-16-10-9-14(11-15(16)12-17(22)21(24)25)13-26-28(7,8)20(4,5)6;1-19(2,3)24-18(22)21-12-11-16-13-15(9-10-17(16)21)14-23-25(7,8)20(4,5)6;10-9-7(11)5-6-3-1-2-4-8(6)12-9;2*10-7-5-6-3-1-2-4-8(6)11-9(7)12;11-9(12)7-1-2-8-6(5-7)3-4-10-8;11-6-7-1-2-9-8(5-7)3-4-10-9;;/h9-17H,18H2,1-8H3,(H,30,32);9-12,24-25H,13H2,1-8H3;9-13H,14H2,1-8H3;1-5H;2*1-6,8H,(H,11,12);1-5,10H,(H,11,12);1-5,10-11H,6H2;2*1H4.

What are the key properties of tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;2-chloro-3-iodoquinoline;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol;bis(3-iodo-4a,8a-dihydro-1H-quinolin-2-one);methane?

tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;2-chloro-3-iodoquinoline;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol;bis(3-iodo-4a,8a-dihydro-1H-quinolin-2-one);methane has a molecular weight of 2447.71 g/mol, XLogP of 28.41, 13 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;2-chloro-3-iodoquinoline;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol;bis(3-iodo-4a,8a-dihydro-1H-quinolin-2-one);methane is sourced from PubChem (CID 158508858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).