tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane

C31H52O2Si2 — CID 126970735

About tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane

tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane (PubChem CID 126970735) has the molecular formula C31H52O2Si2 and a molecular weight of 512.93 g/mol. Its IUPAC name is tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane
• PubChem CID: 126970735
• Molecular Formula: C31H52O2Si2
• Molecular Weight: 512.93 g/mol
• Exact Mass: 512.35
• IUPAC Name: tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane
• SMILES: Cc1cc(C(C)(C)c2cc(C)c(O[Si](C)(C)C(C)(C)C)c(C)c2)cc(C)c1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C31H52O2Si2/c1-21-17-25(18-22(2)27(21)32-34(13,14)29(5,6)7)31(11,12)26-19-23(3)28(24(4)20-26)33-35(15,16)30(8,9)10/h17-20H,1-16H3
• InChIKey: TWOQQHFKEORGQW-UHFFFAOYSA-N
• XLogP: 10.01
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.93
LogP ≤ 5	10.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane (CID 126970735) is tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane is Cc1cc(C(C)(C)c2cc(C)c(O[Si](C)(C)C(C)(C)C)c(C)c2)cc(C)c1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane?

The InChIKey is TWOQQHFKEORGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H52O2Si2/c1-21-17-25(18-22(2)27(21)32-34(13,14)29(5,6)7)31(11,12)26-19-23(3)28(24(4)20-26)33-35(15,16)30(8,9)10/h17-20H,1-16H3.

What are the key properties of tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane?

tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane has a molecular weight of 512.93 g/mol, XLogP of 10.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane is sourced from PubChem (CID 126970735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).