3-bromopropoxy-tert-butyl-dimethylsilane;2-[2-(2-chloroethoxy)ethoxy]ethanol;3-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]indol-3-yl]-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;2-[1-[2-(2-hydroxyethoxy)ethoxymethyl]indol-3-yl]acetamide;methyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]-2-oxoacetate

C78H113BrClN7O18Si2 — CID 158326080

About 3-bromopropoxy-tert-butyl-dimethylsilane;2-[2-(2-chloroethoxy)ethoxy]ethanol;3-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]indol-3-yl]-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;2-[1-[2-(2-hydroxyethoxy)ethoxymethyl]indol-3-yl]acetamide;methyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]-2-oxoacetate

3-bromopropoxy-tert-butyl-dimethylsilane;2-[2-(2-chloroethoxy)ethoxy]ethanol;3-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]indol-3-yl]-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;2-[1-[2-(2-hydroxyethoxy)ethoxymethyl]indol-3-yl]acetamide;methyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]-2-oxoacetate (PubChem CID 158326080) has the molecular formula C78H113BrClN7O18Si2 and a molecular weight of 1608.32 g/mol. Its IUPAC name is 3-bromopropoxy-tert-butyl-dimethylsilane;2-[2-(2-chloroethoxy)ethoxy]ethanol;3-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]indol-3-yl]-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;2-[1-[2-(2-hydroxyethoxy)ethoxymethyl]indol-3-yl]acetamide;methyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]-2-oxoacetate.

Molecular Properties

• Compound Name: 3-bromopropoxy-tert-butyl-dimethylsilane;2-[2-(2-chloroethoxy)ethoxy]ethanol;3-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]indol-3-yl]-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;2-[1-[2-(2-hydroxyethoxy)ethoxymethyl]indol-3-yl]acetamide;methyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]-2-oxoacetate
• PubChem CID: 158326080
• Molecular Formula: C78H113BrClN7O18Si2
• Molecular Weight: 1608.32 g/mol
• Exact Mass: 1605.66
• IUPAC Name: 3-bromopropoxy-tert-butyl-dimethylsilane;2-[2-(2-chloroethoxy)ethoxy]ethanol;3-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]indol-3-yl]-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;2-[1-[2-(2-hydroxyethoxy)ethoxymethyl]indol-3-yl]acetamide;methyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]-2-oxoacetate
• SMILES: CC(C)(C)[Si](C)(C)OCCCBr.COC(=O)C(=O)c1nn(CCCO[Si](C)(C)C(C)(C)C)c2ccccc12.NC(=O)Cc1cn(COCCOCCO)c2ccccc12.O=C1NC(=O)C(c2cn(CCOCCOCCO)c3ccccc23)=C1c1cn(CCCO)c2ccccc12.OCCOCCOCCCl
• InChI: InChI=1S/C29H31N3O6.C19H28N2O4Si.C15H20N2O4.C9H21BrOSi.C6H13ClO3/c33-12-5-10-31-18-22(20-6-1-3-8-24(20)31)26-27(29(36)30-28(26)35)23-19-32(25-9-4-2-7-21(23)25)11-14-37-16-17-38-15-13-34;1-19(2,3)26(5,6)25-13-9-12-21-15-11-8-7-10-14(15)16(20-21)17(22)18(23)24-4;16-15(19)9-12-10-17(11-21-8-7-20-6-5-18)14-4-2-1-3-13(12)14;1-9(2,3)12(4,5)11-8-6-7-10;7-1-3-9-5-6-10-4-2-8/h1-4,6-9,18-19,33-34H,5,10-17H2,(H,30,35,36);7-8,10-11H,9,12-13H2,1-6H3;1-4,10,18H,5-9,11H2,(H2,16,19);6-8H2,1-5H3;8H,1-6H2
• InChIKey: GPKQBLLMZDNWEB-UHFFFAOYSA-N
• XLogP: 11.07
• TPSA: 320.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 40
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1608.32
LogP ≤ 5	11.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromopropoxy-tert-butyl-dimethylsilane;2-[2-(2-chloroethoxy)ethoxy]ethanol;3-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]indol-3-yl]-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;2-[1-[2-(2-hydroxyethoxy)ethoxymethyl]indol-3-yl]acetamide;methyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]-2-oxoacetate?

The IUPAC name of 3-bromopropoxy-tert-butyl-dimethylsilane;2-[2-(2-chloroethoxy)ethoxy]ethanol;3-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]indol-3-yl]-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;2-[1-[2-(2-hydroxyethoxy)ethoxymethyl]indol-3-yl]acetamide;methyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]-2-oxoacetate (CID 158326080) is 3-bromopropoxy-tert-butyl-dimethylsilane;2-[2-(2-chloroethoxy)ethoxy]ethanol;3-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]indol-3-yl]-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;2-[1-[2-(2-hydroxyethoxy)ethoxymethyl]indol-3-yl]acetamide;methyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]-2-oxoacetate.

What is the SMILES notation for 3-bromopropoxy-tert-butyl-dimethylsilane;2-[2-(2-chloroethoxy)ethoxy]ethanol;3-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]indol-3-yl]-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;2-[1-[2-(2-hydroxyethoxy)ethoxymethyl]indol-3-yl]acetamide;methyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]-2-oxoacetate?

The canonical SMILES for 3-bromopropoxy-tert-butyl-dimethylsilane;2-[2-(2-chloroethoxy)ethoxy]ethanol;3-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]indol-3-yl]-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;2-[1-[2-(2-hydroxyethoxy)ethoxymethyl]indol-3-yl]acetamide;methyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]-2-oxoacetate is CC(C)(C)[Si](C)(C)OCCCBr.COC(=O)C(=O)c1nn(CCCO[Si](C)(C)C(C)(C)C)c2ccccc12.NC(=O)Cc1cn(COCCOCCO)c2ccccc12.O=C1NC(=O)C(c2cn(CCOCCOCCO)c3ccccc23)=C1c1cn(CCCO)c2ccccc12.OCCOCCOCCCl.

What is the InChIKey of 3-bromopropoxy-tert-butyl-dimethylsilane;2-[2-(2-chloroethoxy)ethoxy]ethanol;3-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]indol-3-yl]-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;2-[1-[2-(2-hydroxyethoxy)ethoxymethyl]indol-3-yl]acetamide;methyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]-2-oxoacetate?

The InChIKey is GPKQBLLMZDNWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O6.C19H28N2O4Si.C15H20N2O4.C9H21BrOSi.C6H13ClO3/c33-12-5-10-31-18-22(20-6-1-3-8-24(20)31)26-27(29(36)30-28(26)35)23-19-32(25-9-4-2-7-21(23)25)11-14-37-16-17-38-15-13-34;1-19(2,3)26(5,6)25-13-9-12-21-15-11-8-7-10-14(15)16(20-21)17(22)18(23)24-4;16-15(19)9-12-10-17(11-21-8-7-20-6-5-18)14-4-2-1-3-13(12)14;1-9(2,3)12(4,5)11-8-6-7-10;7-1-3-9-5-6-10-4-2-8/h1-4,6-9,18-19,33-34H,5,10-17H2,(H,30,35,36);7-8,10-11H,9,12-13H2,1-6H3;1-4,10,18H,5-9,11H2,(H2,16,19);6-8H2,1-5H3;8H,1-6H2.

What are the key properties of 3-bromopropoxy-tert-butyl-dimethylsilane;2-[2-(2-chloroethoxy)ethoxy]ethanol;3-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]indol-3-yl]-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;2-[1-[2-(2-hydroxyethoxy)ethoxymethyl]indol-3-yl]acetamide;methyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]-2-oxoacetate?

3-bromopropoxy-tert-butyl-dimethylsilane;2-[2-(2-chloroethoxy)ethoxy]ethanol;3-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]indol-3-yl]-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;2-[1-[2-(2-hydroxyethoxy)ethoxymethyl]indol-3-yl]acetamide;methyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]-2-oxoacetate has a molecular weight of 1608.32 g/mol, XLogP of 11.07, 40 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromopropoxy-tert-butyl-dimethylsilane;2-[2-(2-chloroethoxy)ethoxy]ethanol;3-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]indol-3-yl]-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;2-[1-[2-(2-hydroxyethoxy)ethoxymethyl]indol-3-yl]acetamide;methyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]-2-oxoacetate is sourced from PubChem (CID 158326080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).