methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate;methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(4-methylphenyl)methoxy]propanoate

C40H60O8Si2 — CID 161119989

About methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate;methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(4-methylphenyl)methoxy]propanoate

methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate;methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(4-methylphenyl)methoxy]propanoate (PubChem CID 161119989) has the molecular formula C40H60O8Si2 and a molecular weight of 725.08 g/mol. Its IUPAC name is methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate;methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(4-methylphenyl)methoxy]propanoate.

Molecular Properties

• Compound Name: methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate;methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(4-methylphenyl)methoxy]propanoate
• PubChem CID: 161119989
• Molecular Formula: C40H60O8Si2
• Molecular Weight: 725.08 g/mol
• Exact Mass: 724.38
• IUPAC Name: methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate;methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(4-methylphenyl)methoxy]propanoate
• SMILES: COC(=O)C(Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)OCc1ccc(C)cc1.COC(=O)C(O)Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1
• InChI: InChI=1S/C24H34O4Si.C16H26O4Si/c1-18-8-10-20(11-9-18)17-27-22(23(25)26-5)16-19-12-14-21(15-13-19)28-29(6,7)24(2,3)4;1-16(2,3)21(5,6)20-13-9-7-12(8-10-13)11-14(17)15(18)19-4/h8-15,22H,16-17H2,1-7H3;7-10,14,17H,11H2,1-6H3
• InChIKey: UKUZSFGFLLXURK-UHFFFAOYSA-N
• XLogP: 8.83
• TPSA: 100.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.08
LogP ≤ 5	8.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate;methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(4-methylphenyl)methoxy]propanoate?

The IUPAC name of methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate;methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(4-methylphenyl)methoxy]propanoate (CID 161119989) is methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate;methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(4-methylphenyl)methoxy]propanoate.

What is the SMILES notation for methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate;methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(4-methylphenyl)methoxy]propanoate?

The canonical SMILES for methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate;methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(4-methylphenyl)methoxy]propanoate is COC(=O)C(Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)OCc1ccc(C)cc1.COC(=O)C(O)Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1.

What is the InChIKey of methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate;methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(4-methylphenyl)methoxy]propanoate?

The InChIKey is UKUZSFGFLLXURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O4Si.C16H26O4Si/c1-18-8-10-20(11-9-18)17-27-22(23(25)26-5)16-19-12-14-21(15-13-19)28-29(6,7)24(2,3)4;1-16(2,3)21(5,6)20-13-9-7-12(8-10-13)11-14(17)15(18)19-4/h8-15,22H,16-17H2,1-7H3;7-10,14,17H,11H2,1-6H3.

What are the key properties of methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate;methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(4-methylphenyl)methoxy]propanoate?

methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate;methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(4-methylphenyl)methoxy]propanoate has a molecular weight of 725.08 g/mol, XLogP of 8.83, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate;methyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(4-methylphenyl)methoxy]propanoate is sourced from PubChem (CID 161119989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).