(4-tert-butylphenyl) [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate

C44H76O8Si6 — CID 23379892

About (4-tert-butylphenyl) [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate

(4-tert-butylphenyl) [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate (PubChem CID 23379892) has the molecular formula C44H76O8Si6 and a molecular weight of 901.60 g/mol. Its IUPAC name is (4-tert-butylphenyl) [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate.

Molecular Properties

• Compound Name: (4-tert-butylphenyl) [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate
• PubChem CID: 23379892
• Molecular Formula: C44H76O8Si6
• Molecular Weight: 901.60 g/mol
• Exact Mass: 900.42
• IUPAC Name: (4-tert-butylphenyl) [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate
• SMILES: COc1ccccc1CCC[Si](C)(C)O[Si](C)(O[Si](C)(C)CCCc1ccccc1OC(=O)Oc1ccc(C(C)(C)C)cc1)O[Si](C)(C)CC[Si](C)(C)O[Si](C)(C)C
• InChI: InChI=1S/C44H76O8Si6/c1-44(2,3)39-29-31-40(32-30-39)47-43(45)48-42-28-20-18-24-38(42)26-22-34-55(10,11)51-58(16,52-57(14,15)36-35-56(12,13)49-53(5,6)7)50-54(8,9)33-21-25-37-23-17-19-27-41(37)46-4/h17-20,23-24,27-32H,21-22,25-26,33-36H2,1-16H3
• InChIKey: HKWCZPWTHOHLSZ-UHFFFAOYSA-N
• XLogP: 13.43
• TPSA: 81.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 22
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	901.60
LogP ≤ 5	13.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl) [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate?

The IUPAC name of (4-tert-butylphenyl) [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate (CID 23379892) is (4-tert-butylphenyl) [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate.

What is the SMILES notation for (4-tert-butylphenyl) [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate?

The canonical SMILES for (4-tert-butylphenyl) [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate is COc1ccccc1CCC[Si](C)(C)O[Si](C)(O[Si](C)(C)CCCc1ccccc1OC(=O)Oc1ccc(C(C)(C)C)cc1)O[Si](C)(C)CC[Si](C)(C)O[Si](C)(C)C.

What is the InChIKey of (4-tert-butylphenyl) [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate?

The InChIKey is HKWCZPWTHOHLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H76O8Si6/c1-44(2,3)39-29-31-40(32-30-39)47-43(45)48-42-28-20-18-24-38(42)26-22-34-55(10,11)51-58(16,52-57(14,15)36-35-56(12,13)49-53(5,6)7)50-54(8,9)33-21-25-37-23-17-19-27-41(37)46-4/h17-20,23-24,27-32H,21-22,25-26,33-36H2,1-16H3.

What are the key properties of (4-tert-butylphenyl) [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate?

(4-tert-butylphenyl) [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate has a molecular weight of 901.60 g/mol, XLogP of 13.43, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4-tert-butylphenyl) [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate is sourced from PubChem (CID 23379892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).