tert-butyl-dimethyl-propoxysilane;methyl (2R)-4-(5-bromo-6-methoxy-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoate;methyl (2R)-4-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoate;zinc;hydrobromide

C48H73Br2O10S2Si2Zn- — CID 157162120

About tert-butyl-dimethyl-propoxysilane;methyl (2R)-4-(5-bromo-6-methoxy-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoate;methyl (2R)-4-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoate;zinc;hydrobromide

tert-butyl-dimethyl-propoxysilane;methyl (2R)-4-(5-bromo-6-methoxy-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoate;methyl (2R)-4-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoate;zinc;hydrobromide (PubChem CID 157162120) has the molecular formula C48H73Br2O10S2Si2Zn- and a molecular weight of 1155.61 g/mol. Its IUPAC name is tert-butyl-dimethyl-propoxysilane;methyl (2R)-4-(5-bromo-6-methoxy-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoate;methyl (2R)-4-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoate;zinc;hydrobromide.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-propoxysilane;methyl (2R)-4-(5-bromo-6-methoxy-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoate;methyl (2R)-4-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoate;zinc;hydrobromide
• PubChem CID: 157162120
• Molecular Formula: C48H73Br2O10S2Si2Zn-
• Molecular Weight: 1155.61 g/mol
• Exact Mass: 1151.18
• IUPAC Name: tert-butyl-dimethyl-propoxysilane;methyl (2R)-4-(5-bromo-6-methoxy-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoate;methyl (2R)-4-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoate;zinc;hydrobromide
• SMILES: Br.COC(=O)[C@H](C)CC(=O)c1cc2cc(Br)c(OC)cc2s1.COC(=O)[C@H](C)CC(=O)c1cc2cc(CCCO[Si](C)(C)C(C)(C)C)c(OC)cc2s1.[CH2-]CCO[Si](C)(C)C(C)(C)C.[Zn]
• InChI: InChI=1S/C24H36O5SSi.C15H15BrO4S.C9H21OSi.BrH.Zn/c1-16(23(26)28-6)12-19(25)22-14-18-13-17(20(27-5)15-21(18)30-22)10-9-11-29-31(7,8)24(2,3)4;1-8(15(18)20-3)4-11(17)14-6-9-5-10(16)12(19-2)7-13(9)21-14;1-7-8-10-11(5,6)9(2,3)4;;/h13-16H,9-12H2,1-8H3;5-8H,4H2,1-3H3;1,7-8H2,2-6H3;1H;/q;;-1;;/t16-;8-;;;/m11.../s1
• InChIKey: OMGVHGPDWHJGEE-HCGOPBGCSA-N
• XLogP: 14.11
• TPSA: 123.66 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1155.61
LogP ≤ 5	14.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-propoxysilane;methyl (2R)-4-(5-bromo-6-methoxy-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoate;methyl (2R)-4-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoate;zinc;hydrobromide?

The IUPAC name of tert-butyl-dimethyl-propoxysilane;methyl (2R)-4-(5-bromo-6-methoxy-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoate;methyl (2R)-4-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoate;zinc;hydrobromide (CID 157162120) is tert-butyl-dimethyl-propoxysilane;methyl (2R)-4-(5-bromo-6-methoxy-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoate;methyl (2R)-4-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoate;zinc;hydrobromide.

What is the SMILES notation for tert-butyl-dimethyl-propoxysilane;methyl (2R)-4-(5-bromo-6-methoxy-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoate;methyl (2R)-4-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoate;zinc;hydrobromide?

The canonical SMILES for tert-butyl-dimethyl-propoxysilane;methyl (2R)-4-(5-bromo-6-methoxy-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoate;methyl (2R)-4-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoate;zinc;hydrobromide is Br.COC(=O)[C@H](C)CC(=O)c1cc2cc(Br)c(OC)cc2s1.COC(=O)[C@H](C)CC(=O)c1cc2cc(CCCO[Si](C)(C)C(C)(C)C)c(OC)cc2s1.[CH2-]CCO[Si](C)(C)C(C)(C)C.[Zn].

What is the InChIKey of tert-butyl-dimethyl-propoxysilane;methyl (2R)-4-(5-bromo-6-methoxy-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoate;methyl (2R)-4-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoate;zinc;hydrobromide?

The InChIKey is OMGVHGPDWHJGEE-HCGOPBGCSA-N. The full InChI is InChI=1S/C24H36O5SSi.C15H15BrO4S.C9H21OSi.BrH.Zn/c1-16(23(26)28-6)12-19(25)22-14-18-13-17(20(27-5)15-21(18)30-22)10-9-11-29-31(7,8)24(2,3)4;1-8(15(18)20-3)4-11(17)14-6-9-5-10(16)12(19-2)7-13(9)21-14;1-7-8-10-11(5,6)9(2,3)4;;/h13-16H,9-12H2,1-8H3;5-8H,4H2,1-3H3;1,7-8H2,2-6H3;1H;/q;;-1;;/t16-;8-;;;/m11.../s1.

What are the key properties of tert-butyl-dimethyl-propoxysilane;methyl (2R)-4-(5-bromo-6-methoxy-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoate;methyl (2R)-4-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoate;zinc;hydrobromide?

tert-butyl-dimethyl-propoxysilane;methyl (2R)-4-(5-bromo-6-methoxy-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoate;methyl (2R)-4-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoate;zinc;hydrobromide has a molecular weight of 1155.61 g/mol, XLogP of 14.11, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-propoxysilane;methyl (2R)-4-(5-bromo-6-methoxy-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoate;methyl (2R)-4-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-1-benzothiophen-2-yl]-2-methyl-4-oxobutanoate;zinc;hydrobromide is sourced from PubChem (CID 157162120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).