ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-methoxy-1-benzofuran-2-yl]methoxy]-6-methoxy-2-methyl-1-benzofuran-3-carboxylate

C32H40O10Si — CID 53392085

About ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-methoxy-1-benzofuran-2-yl]methoxy]-6-methoxy-2-methyl-1-benzofuran-3-carboxylate

ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-methoxy-1-benzofuran-2-yl]methoxy]-6-methoxy-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 53392085) has the molecular formula C32H40O10Si and a molecular weight of 612.75 g/mol. Its IUPAC name is ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-methoxy-1-benzofuran-2-yl]methoxy]-6-methoxy-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-methoxy-1-benzofuran-2-yl]methoxy]-6-methoxy-2-methyl-1-benzofuran-3-carboxylate
• PubChem CID: 53392085
• Molecular Formula: C32H40O10Si
• Molecular Weight: 612.75 g/mol
• Exact Mass: 612.24
• IUPAC Name: ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-methoxy-1-benzofuran-2-yl]methoxy]-6-methoxy-2-methyl-1-benzofuran-3-carboxylate
• SMILES: CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(O[Si](C)(C)C(C)(C)C)cc4c3C(=O)OCC)cc12
• InChI: InChI=1S/C32H40O10Si/c1-11-37-30(33)28-18(3)40-21-15-23(35-7)25(13-19(21)28)39-17-27-29(31(34)38-12-2)20-14-26(24(36-8)16-22(20)41-27)42-43(9,10)32(4,5)6/h13-16H,11-12,17H2,1-10H3
• InChIKey: DYJNHPSTHBQTRJ-UHFFFAOYSA-N
• XLogP: 7.82
• TPSA: 115.80 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.75
LogP ≤ 5	7.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-methoxy-1-benzofuran-2-yl]methoxy]-6-methoxy-2-methyl-1-benzofuran-3-carboxylate?

The IUPAC name of ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-methoxy-1-benzofuran-2-yl]methoxy]-6-methoxy-2-methyl-1-benzofuran-3-carboxylate (CID 53392085) is ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-methoxy-1-benzofuran-2-yl]methoxy]-6-methoxy-2-methyl-1-benzofuran-3-carboxylate.

What is the SMILES notation for ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-methoxy-1-benzofuran-2-yl]methoxy]-6-methoxy-2-methyl-1-benzofuran-3-carboxylate?

The canonical SMILES for ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-methoxy-1-benzofuran-2-yl]methoxy]-6-methoxy-2-methyl-1-benzofuran-3-carboxylate is CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(O[Si](C)(C)C(C)(C)C)cc4c3C(=O)OCC)cc12.

What is the InChIKey of ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-methoxy-1-benzofuran-2-yl]methoxy]-6-methoxy-2-methyl-1-benzofuran-3-carboxylate?

The InChIKey is DYJNHPSTHBQTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40O10Si/c1-11-37-30(33)28-18(3)40-21-15-23(35-7)25(13-19(21)28)39-17-27-29(31(34)38-12-2)20-14-26(24(36-8)16-22(20)41-27)42-43(9,10)32(4,5)6/h13-16H,11-12,17H2,1-10H3.

What are the key properties of ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-methoxy-1-benzofuran-2-yl]methoxy]-6-methoxy-2-methyl-1-benzofuran-3-carboxylate?

ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-methoxy-1-benzofuran-2-yl]methoxy]-6-methoxy-2-methyl-1-benzofuran-3-carboxylate has a molecular weight of 612.75 g/mol, XLogP of 7.82, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-methoxy-1-benzofuran-2-yl]methoxy]-6-methoxy-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 53392085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).