4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol

C₆₆H₁₀₂O₂Si₃ — CID 159821524

About 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol

4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol (PubChem CID 159821524) has the molecular formula C₆₆H₁₀₂O₂Si₃ and a molecular weight of 1011.80 g/mol. Its IUPAC name is 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol.

Molecular Properties

• Compound Name: 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol
• PubChem CID: 159821524
• Molecular Formula: C₆₆H₁₀₂O₂Si₃
• Molecular Weight: 1011.80 g/mol
• Exact Mass: 1010.72
• IUPAC Name: 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol
• SMILES: C.C.C.C.CCC(CC(CC(C)c1ccc(C)cc1)c1ccc(O)cc1)c1ccc([Si](C)(C)C)cc1.CCC(CC(CC(C)c1ccc(C)cc1)c1ccc(O)cc1)c1ccc([Si](C)(C)[Si](C)(C)C)cc1
• InChI: InChI=1S/C32H46OSi2.C30H40OSi.4CH4/c1-9-26(28-16-20-32(21-17-28)35(7,8)34(4,5)6)23-30(29-14-18-31(33)19-15-29)22-25(3)27-12-10-24(2)11-13-27;1-7-24(26-14-18-30(19-15-26)32(4,5)6)21-28(27-12-16-29(31)17-13-27)20-23(3)25-10-8-22(2)9-11-25;;;;/h10-21,25-26,30,33H,9,22-23H2,1-8H3;8-19,23-24,28,31H,7,20-21H2,1-6H3;4*1H4
• InChIKey: NMHKUAVELFDKEE-UHFFFAOYSA-N
• XLogP: 19.55
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 19
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1011.80
LogP ≤ 5	19.55
H-Bond Donors ≤ 5	2
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 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol?

The IUPAC name of 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol (CID 159821524) is 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol.

What is the SMILES notation for 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol?

The canonical SMILES for 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol is C.C.C.C.CCC(CC(CC(C)c1ccc(C)cc1)c1ccc(O)cc1)c1ccc([Si](C)(C)C)cc1.CCC(CC(CC(C)c1ccc(C)cc1)c1ccc(O)cc1)c1ccc([Si](C)(C)[Si](C)(C)C)cc1.

What is the InChIKey of 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol?

The InChIKey is NMHKUAVELFDKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46OSi2.C30H40OSi.4CH4/c1-9-26(28-16-20-32(21-17-28)35(7,8)34(4,5)6)23-30(29-14-18-31(33)19-15-29)22-25(3)27-12-10-24(2)11-13-27;1-7-24(26-14-18-30(19-15-26)32(4,5)6)21-28(27-12-16-29(31)17-13-27)20-23(3)25-10-8-22(2)9-11-25;;;;/h10-21,25-26,30,33H,9,22-23H2,1-8H3;8-19,23-24,28,31H,7,20-21H2,1-6H3;4*1H4.

What are the key properties of 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol?

4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol has a molecular weight of 1011.80 g/mol, XLogP of 19.55, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol is sourced from PubChem (CID 159821524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159821524 — identifiers, structure, computed properties (public domain)

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