[4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenyl] 4-[4-[4-[[[4-[4-[4-[4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenoxy]carbonylphenyl]phenoxy]butyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butoxy]phenyl]benzoate

C66H84O14Si3 — CID 101381966

About [4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenyl] 4-[4-[4-[[[4-[4-[4-[4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenoxy]carbonylphenyl]phenoxy]butyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butoxy]phenyl]benzoate

[4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenyl] 4-[4-[4-[[[4-[4-[4-[4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenoxy]carbonylphenyl]phenoxy]butyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butoxy]phenyl]benzoate (PubChem CID 101381966) has the molecular formula C66H84O14Si3 and a molecular weight of 1185.64 g/mol. Its IUPAC name is [4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenyl] 4-[4-[4-[[[4-[4-[4-[4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenoxy]carbonylphenyl]phenoxy]butyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butoxy]phenyl]benzoate.

Molecular Properties

• Compound Name: [4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenyl] 4-[4-[4-[[[4-[4-[4-[4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenoxy]carbonylphenyl]phenoxy]butyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butoxy]phenyl]benzoate
• PubChem CID: 101381966
• Molecular Formula: C66H84O14Si3
• Molecular Weight: 1185.64 g/mol
• Exact Mass: 1184.52
• IUPAC Name: [4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenyl] 4-[4-[4-[[[4-[4-[4-[4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenoxy]carbonylphenyl]phenoxy]butyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butoxy]phenyl]benzoate
• SMILES: CCCCOC(=O)[C@@H](C)Oc1ccc(OC(=O)c2ccc(-c3ccc(OCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCCOc4ccc(-c5ccc(C(=O)Oc6ccc(O[C@H](C)C(=O)OCCCC)cc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C66H84O14Si3/c1-11-13-43-73-63(67)49(3)75-59-35-39-61(40-36-59)77-65(69)55-23-19-51(20-24-55)53-27-31-57(32-28-53)71-45-15-17-47-81(5,6)79-83(9,10)80-82(7,8)48-18-16-46-72-58-33-29-54(30-34-58)52-21-25-56(26-22-52)66(70)78-62-41-37-60(38-42-62)76-50(4)64(68)74-44-14-12-2/h19-42,49-50H,11-18,43-48H2,1-10H3/t49-,50-/m1/s1
• InChIKey: ARYPGVGNUCSUOA-CDKYPKJRSA-N
• XLogP: 15.84
• TPSA: 160.58 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 34
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1185.64
LogP ≤ 5	15.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenyl] 4-[4-[4-[[[4-[4-[4-[4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenoxy]carbonylphenyl]phenoxy]butyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butoxy]phenyl]benzoate?

The IUPAC name of [4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenyl] 4-[4-[4-[[[4-[4-[4-[4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenoxy]carbonylphenyl]phenoxy]butyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butoxy]phenyl]benzoate (CID 101381966) is [4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenyl] 4-[4-[4-[[[4-[4-[4-[4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenoxy]carbonylphenyl]phenoxy]butyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butoxy]phenyl]benzoate.

What is the SMILES notation for [4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenyl] 4-[4-[4-[[[4-[4-[4-[4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenoxy]carbonylphenyl]phenoxy]butyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butoxy]phenyl]benzoate?

The canonical SMILES for [4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenyl] 4-[4-[4-[[[4-[4-[4-[4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenoxy]carbonylphenyl]phenoxy]butyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butoxy]phenyl]benzoate is CCCCOC(=O)[C@@H](C)Oc1ccc(OC(=O)c2ccc(-c3ccc(OCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCCOc4ccc(-c5ccc(C(=O)Oc6ccc(O[C@H](C)C(=O)OCCCC)cc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of [4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenyl] 4-[4-[4-[[[4-[4-[4-[4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenoxy]carbonylphenyl]phenoxy]butyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butoxy]phenyl]benzoate?

The InChIKey is ARYPGVGNUCSUOA-CDKYPKJRSA-N. The full InChI is InChI=1S/C66H84O14Si3/c1-11-13-43-73-63(67)49(3)75-59-35-39-61(40-36-59)77-65(69)55-23-19-51(20-24-55)53-27-31-57(32-28-53)71-45-15-17-47-81(5,6)79-83(9,10)80-82(7,8)48-18-16-46-72-58-33-29-54(30-34-58)52-21-25-56(26-22-52)66(70)78-62-41-37-60(38-42-62)76-50(4)64(68)74-44-14-12-2/h19-42,49-50H,11-18,43-48H2,1-10H3/t49-,50-/m1/s1.

What are the key properties of [4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenyl] 4-[4-[4-[[[4-[4-[4-[4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenoxy]carbonylphenyl]phenoxy]butyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butoxy]phenyl]benzoate?

[4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenyl] 4-[4-[4-[[[4-[4-[4-[4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenoxy]carbonylphenyl]phenoxy]butyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butoxy]phenyl]benzoate has a molecular weight of 1185.64 g/mol, XLogP of 15.84, 34 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenyl] 4-[4-[4-[[[4-[4-[4-[4-[(2R)-1-butoxy-1-oxopropan-2-yl]oxyphenoxy]carbonylphenyl]phenoxy]butyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butoxy]phenyl]benzoate is sourced from PubChem (CID 101381966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).