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

C36H48O10Si — CID 53392178

IUPACethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-propan-2-yloxy-1-benzofuran-2-yl]methoxy]-2-methyl-6-propan-2-yloxy-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2cc(OC(C)C)c(OCc3oc4cc(OC(C)C)c(O[Si](C)(C)C(C)(C)C)cc4c3C(=O)OCC)cc12
InChIInChI=1S/C36H48O10Si/c1-13-39-34(37)32-22(7)44-25-17-28(42-20(3)4)27(15-23(25)32)41-19-31-33(35(38)40-14-2)24-16-30(46-47(11,12)36(8,9)10)29(43-21(5)6)18-26(24)45-31/h15-18,20-21H,13-14,19H2,1-12H3
InChIKeyASIUWQYETFKVEL-UHFFFAOYSA-N
MW668.86 g/mol
LogP9.38
Rot. Bonds13

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

ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-propan-2-yloxy-1-benzofuran-2-yl]methoxy]-2-methyl-6-propan-2-yloxy-1-benzofuran-3-carboxylate (PubChem CID 53392178) has the molecular formula C36H48O10Si and a molecular weight of 668.86 g/mol. Its IUPAC name is ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-propan-2-yloxy-1-benzofuran-2-yl]methoxy]-2-methyl-6-propan-2-yloxy-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-propan-2-yloxy-1-benzofuran-2-yl]methoxy]-2-methyl-6-propan-2-yloxy-1-benzofuran-3-carboxylate
PubChem CID53392178
Molecular FormulaC36H48O10Si
Molecular Weight668.86 g/mol
Exact Mass668.30
IUPAC Nameethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-propan-2-yloxy-1-benzofuran-2-yl]methoxy]-2-methyl-6-propan-2-yloxy-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2cc(OC(C)C)c(OCc3oc4cc(OC(C)C)c(O[Si](C)(C)C(C)(C)C)cc4c3C(=O)OCC)cc12
InChIInChI=1S/C36H48O10Si/c1-13-39-34(37)32-22(7)44-25-17-28(42-20(3)4)27(15-23(25)32)41-19-31-33(35(38)40-14-2)24-16-30(46-47(11,12)36(8,9)10)29(43-21(5)6)18-26(24)45-31/h15-18,20-21H,13-14,19H2,1-12H3
InChIKeyASIUWQYETFKVEL-UHFFFAOYSA-N
XLogP9.38
TPSA115.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.86
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

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
sodium [3-ethoxycarbonyl-2-[(3-ethoxycarbonyl-2-methyl-6-propan-2-yloxy-1-benzofuran-5-yl)oxymethyl]-6-propan-2-yloxy-1-benzofuran-5-yl] sulfate
CID 53392341
ethyl 5-[[3-ethoxycarbonyl-5-[(6-ethoxy-3-ethoxycarbonyl-5-sulfooxy-1-benzofuran-2-yl)methoxy]-6-methoxy-1-benzofuran-2-yl]methoxy]-6-methoxy-2-methyl-1-benzofuran-3-carboxylate
CID 71734772
ethyl 6-bromo-5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate
CID 979397
[3-ethoxycarbonyl-2-[[3-ethoxycarbonyl-2-methyl-6-(2-phenylethoxy)-1-benzofuran-5-yl]oxymethyl]-6-methoxy-1-benzofuran-5-yl] sulfate
CID 172637941
propan-2-yl 6-bromo-5-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate
CID 979399
ethyl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
CID 687106
ethyl 6-bromo-5-(2-ethoxy-2-oxo-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 2919964
ethane;ethyl 5-hydroxy-2,6-dimethyl-1-benzofuran-3-carboxylate
CID 163379939
ethane;ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
CID 170599419
ethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate
CID 170347431
ethyl 6-bromo-2-methyl-5-(2-oxo-2-phenylmethoxyethoxy)-1-benzofuran-3-carboxylate
CID 979362

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-propan-2-yloxy-1-benzofuran-2-yl]methoxy]-2-methyl-6-propan-2-yloxy-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-propan-2-yloxy-1-benzofuran-2-yl]methoxy]-2-methyl-6-propan-2-yloxy-1-benzofuran-3-carboxylate (CID 53392178) is ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-propan-2-yloxy-1-benzofuran-2-yl]methoxy]-2-methyl-6-propan-2-yloxy-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-propan-2-yloxy-1-benzofuran-2-yl]methoxy]-2-methyl-6-propan-2-yloxy-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-propan-2-yloxy-1-benzofuran-2-yl]methoxy]-2-methyl-6-propan-2-yloxy-1-benzofuran-3-carboxylate is CCOC(=O)c1c(C)oc2cc(OC(C)C)c(OCc3oc4cc(OC(C)C)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-propan-2-yloxy-1-benzofuran-2-yl]methoxy]-2-methyl-6-propan-2-yloxy-1-benzofuran-3-carboxylate?
The InChIKey is ASIUWQYETFKVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48O10Si/c1-13-39-34(37)32-22(7)44-25-17-28(42-20(3)4)27(15-23(25)32)41-19-31-33(35(38)40-14-2)24-16-30(46-47(11,12)36(8,9)10)29(43-21(5)6)18-26(24)45-31/h15-18,20-21H,13-14,19H2,1-12H3.
What are the key properties of ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-propan-2-yloxy-1-benzofuran-2-yl]methoxy]-2-methyl-6-propan-2-yloxy-1-benzofuran-3-carboxylate?
ethyl 5-[[5-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-6-propan-2-yloxy-1-benzofuran-2-yl]methoxy]-2-methyl-6-propan-2-yloxy-1-benzofuran-3-carboxylate has a molecular weight of 668.86 g/mol, XLogP of 9.38, 13 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-propan-2-yloxy-1-benzofuran-2-yl]methoxy]-2-methyl-6-propan-2-yloxy-1-benzofuran-3-carboxylate is sourced from PubChem (CID 53392178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).