methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate

About methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate

methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate (PubChem CID 151081349) has the molecular formula C36H45NO7Si and a molecular weight of 631.84 g/mol. Its IUPAC name is methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate.

Molecular Properties

Compound Name	methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
PubChem CID	151081349
Molecular Formula	C36H45NO7Si
Molecular Weight	631.84 g/mol
Exact Mass	631.30
IUPAC Name	methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
SMILES	COC(=O)Cc1cc(O[Si](C)(C)C(C)(C)C)ccc1OCc1cc(-c2cccc(CNC(=O)OC(C)(C)C)c2)c2occc2c1
InChI	InChI=1S/C36H45NO7Si/c1-35(2,3)43-34(39)37-22-24-11-10-12-26(17-24)30-19-25(18-27-15-16-41-33(27)30)23-42-31-14-13-29(20-28(31)21-32(38)40-7)44-45(8,9)36(4,5)6/h10-20H,21-23H2,1-9H3,(H,37,39)
InChIKey	MKEOOTWMZFGIPA-UHFFFAOYSA-N
XLogP	8.80
TPSA	96.23 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	10
Heavy Atoms	45
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.84
LogP ≤ 5	8.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate?

The IUPAC name of methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate (CID 151081349) is methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate.

What is the SMILES notation for methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate?

The canonical SMILES for methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate is COC(=O)Cc1cc(O[Si](C)(C)C(C)(C)C)ccc1OCc1cc(-c2cccc(CNC(=O)OC(C)(C)C)c2)c2occc2c1.

What is the InChIKey of methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate?

The InChIKey is MKEOOTWMZFGIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45NO7Si/c1-35(2,3)43-34(39)37-22-24-11-10-12-26(17-24)30-19-25(18-27-15-16-41-33(27)30)23-42-31-14-13-29(20-28(31)21-32(38)40-7)44-45(8,9)36(4,5)6/h10-20H,21-23H2,1-9H3,(H,37,39).

What are the key properties of methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate?

methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate has a molecular weight of 631.84 g/mol, XLogP of 8.80, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate is sourced from PubChem (CID 151081349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).