4-O-(2-tert-butyl-6-methyl-4-propylphenyl) 1-O-[2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] benzene-1,4-dicarboxylate

C44H58O6Si2 — CID 140885333

About 4-O-(2-tert-butyl-6-methyl-4-propylphenyl) 1-O-[2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] benzene-1,4-dicarboxylate

4-O-(2-tert-butyl-6-methyl-4-propylphenyl) 1-O-[2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] benzene-1,4-dicarboxylate (PubChem CID 140885333) has the molecular formula C44H58O6Si2 and a molecular weight of 739.11 g/mol. Its IUPAC name is 4-O-(2-tert-butyl-6-methyl-4-propylphenyl) 1-O-[2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] benzene-1,4-dicarboxylate.

Molecular Properties

• Compound Name: 4-O-(2-tert-butyl-6-methyl-4-propylphenyl) 1-O-[2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] benzene-1,4-dicarboxylate
• PubChem CID: 140885333
• Molecular Formula: C44H58O6Si2
• Molecular Weight: 739.11 g/mol
• Exact Mass: 738.38
• IUPAC Name: 4-O-(2-tert-butyl-6-methyl-4-propylphenyl) 1-O-[2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] benzene-1,4-dicarboxylate
• SMILES: CCCc1cc(C)c(OC(=O)c2ccc(C(=O)Oc3ccccc3CCC[Si](C)(C)O[Si](C)(C)CCCc3ccccc3O)cc2)c(C(C)(C)C)c1
• InChI: InChI=1S/C44H58O6Si2/c1-10-17-33-30-32(2)41(38(31-33)44(3,4)5)49-43(47)37-26-24-36(25-27-37)42(46)48-40-23-14-12-19-35(40)21-16-29-52(8,9)50-51(6,7)28-15-20-34-18-11-13-22-39(34)45/h11-14,18-19,22-27,30-31,45H,10,15-17,20-21,28-29H2,1-9H3
• InChIKey: DOZLVAWYZCQSJJ-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 82.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.11
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-O-(2-tert-butyl-6-methyl-4-propylphenyl) 1-O-[2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] benzene-1,4-dicarboxylate?

The IUPAC name of 4-O-(2-tert-butyl-6-methyl-4-propylphenyl) 1-O-[2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] benzene-1,4-dicarboxylate (CID 140885333) is 4-O-(2-tert-butyl-6-methyl-4-propylphenyl) 1-O-[2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] benzene-1,4-dicarboxylate.

What is the SMILES notation for 4-O-(2-tert-butyl-6-methyl-4-propylphenyl) 1-O-[2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] benzene-1,4-dicarboxylate?

The canonical SMILES for 4-O-(2-tert-butyl-6-methyl-4-propylphenyl) 1-O-[2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] benzene-1,4-dicarboxylate is CCCc1cc(C)c(OC(=O)c2ccc(C(=O)Oc3ccccc3CCC[Si](C)(C)O[Si](C)(C)CCCc3ccccc3O)cc2)c(C(C)(C)C)c1.

What is the InChIKey of 4-O-(2-tert-butyl-6-methyl-4-propylphenyl) 1-O-[2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] benzene-1,4-dicarboxylate?

The InChIKey is DOZLVAWYZCQSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H58O6Si2/c1-10-17-33-30-32(2)41(38(31-33)44(3,4)5)49-43(47)37-26-24-36(25-27-37)42(46)48-40-23-14-12-19-35(40)21-16-29-52(8,9)50-51(6,7)28-15-20-34-18-11-13-22-39(34)45/h11-14,18-19,22-27,30-31,45H,10,15-17,20-21,28-29H2,1-9H3.

What are the key properties of 4-O-(2-tert-butyl-6-methyl-4-propylphenyl) 1-O-[2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] benzene-1,4-dicarboxylate?

4-O-(2-tert-butyl-6-methyl-4-propylphenyl) 1-O-[2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] benzene-1,4-dicarboxylate has a molecular weight of 739.11 g/mol, XLogP of 11.38, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-O-(2-tert-butyl-6-methyl-4-propylphenyl) 1-O-[2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] benzene-1,4-dicarboxylate is sourced from PubChem (CID 140885333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).