methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-(2,3,4-trimethoxyphenoxy)butanoate

C30H38O7Si — CID 71272796

About methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-(2,3,4-trimethoxyphenoxy)butanoate

methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-(2,3,4-trimethoxyphenoxy)butanoate (PubChem CID 71272796) has the molecular formula C30H38O7Si and a molecular weight of 538.71 g/mol. Its IUPAC name is methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-(2,3,4-trimethoxyphenoxy)butanoate.

Molecular Properties

• Compound Name: methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-(2,3,4-trimethoxyphenoxy)butanoate
• PubChem CID: 71272796
• Molecular Formula: C30H38O7Si
• Molecular Weight: 538.71 g/mol
• Exact Mass: 538.24
• IUPAC Name: methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-(2,3,4-trimethoxyphenoxy)butanoate
• SMILES: COC(=O)CC(COc1ccc(OC)c(OC)c1OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C30H38O7Si/c1-30(2,3)38(23-14-10-8-11-15-23,24-16-12-9-13-17-24)37-22(20-27(31)33-5)21-36-26-19-18-25(32-4)28(34-6)29(26)35-7/h8-19,22H,20-21H2,1-7H3
• InChIKey: HHUIDUPDQSILHD-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 72.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.71
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-(2,3,4-trimethoxyphenoxy)butanoate?

The IUPAC name of methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-(2,3,4-trimethoxyphenoxy)butanoate (CID 71272796) is methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-(2,3,4-trimethoxyphenoxy)butanoate.

What is the SMILES notation for methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-(2,3,4-trimethoxyphenoxy)butanoate?

The canonical SMILES for methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-(2,3,4-trimethoxyphenoxy)butanoate is COC(=O)CC(COc1ccc(OC)c(OC)c1OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-(2,3,4-trimethoxyphenoxy)butanoate?

The InChIKey is HHUIDUPDQSILHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O7Si/c1-30(2,3)38(23-14-10-8-11-15-23,24-16-12-9-13-17-24)37-22(20-27(31)33-5)21-36-26-19-18-25(32-4)28(34-6)29(26)35-7/h8-19,22H,20-21H2,1-7H3.

What are the key properties of methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-(2,3,4-trimethoxyphenoxy)butanoate?

methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-(2,3,4-trimethoxyphenoxy)butanoate has a molecular weight of 538.71 g/mol, XLogP of 4.60, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-(2,3,4-trimethoxyphenoxy)butanoate is sourced from PubChem (CID 71272796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).