[4-[2-(4-methoxycarbonyloxyphenyl)propan-2-yl]phenyl] [2-methoxy-4-[3-[[3-(3-methoxy-4-methylphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate

C43H56O9Si2 — CID 140751424

About [4-[2-(4-methoxycarbonyloxyphenyl)propan-2-yl]phenyl] [2-methoxy-4-[3-[[3-(3-methoxy-4-methylphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate

[4-[2-(4-methoxycarbonyloxyphenyl)propan-2-yl]phenyl] [2-methoxy-4-[3-[[3-(3-methoxy-4-methylphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate (PubChem CID 140751424) has the molecular formula C43H56O9Si2 and a molecular weight of 773.08 g/mol. Its IUPAC name is [4-[2-(4-methoxycarbonyloxyphenyl)propan-2-yl]phenyl] [2-methoxy-4-[3-[[3-(3-methoxy-4-methylphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate.

Molecular Properties

• Compound Name: [4-[2-(4-methoxycarbonyloxyphenyl)propan-2-yl]phenyl] [2-methoxy-4-[3-[[3-(3-methoxy-4-methylphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate
• PubChem CID: 140751424
• Molecular Formula: C43H56O9Si2
• Molecular Weight: 773.08 g/mol
• Exact Mass: 772.35
• IUPAC Name: [4-[2-(4-methoxycarbonyloxyphenyl)propan-2-yl]phenyl] [2-methoxy-4-[3-[[3-(3-methoxy-4-methylphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate
• SMILES: COC(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)Oc3ccc(CCC[Si](C)(C)O[Si](C)(C)CCCc4ccc(C)c(OC)c4)cc3OC)cc2)cc1
• InChI: InChI=1S/C43H56O9Si2/c1-31-15-16-32(29-39(31)46-4)13-11-27-53(7,8)52-54(9,10)28-12-14-33-17-26-38(40(30-33)47-5)51-42(45)50-37-24-20-35(21-25-37)43(2,3)34-18-22-36(23-19-34)49-41(44)48-6/h15-26,29-30H,11-14,27-28H2,1-10H3
• InChIKey: QHQUBCUWAKMGSK-UHFFFAOYSA-N
• XLogP: 11.05
• TPSA: 98.75 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.08
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-[2-(4-methoxycarbonyloxyphenyl)propan-2-yl]phenyl] [2-methoxy-4-[3-[[3-(3-methoxy-4-methylphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate?

The IUPAC name of [4-[2-(4-methoxycarbonyloxyphenyl)propan-2-yl]phenyl] [2-methoxy-4-[3-[[3-(3-methoxy-4-methylphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate (CID 140751424) is [4-[2-(4-methoxycarbonyloxyphenyl)propan-2-yl]phenyl] [2-methoxy-4-[3-[[3-(3-methoxy-4-methylphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate.

What is the SMILES notation for [4-[2-(4-methoxycarbonyloxyphenyl)propan-2-yl]phenyl] [2-methoxy-4-[3-[[3-(3-methoxy-4-methylphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate?

The canonical SMILES for [4-[2-(4-methoxycarbonyloxyphenyl)propan-2-yl]phenyl] [2-methoxy-4-[3-[[3-(3-methoxy-4-methylphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate is COC(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)Oc3ccc(CCC[Si](C)(C)O[Si](C)(C)CCCc4ccc(C)c(OC)c4)cc3OC)cc2)cc1.

What is the InChIKey of [4-[2-(4-methoxycarbonyloxyphenyl)propan-2-yl]phenyl] [2-methoxy-4-[3-[[3-(3-methoxy-4-methylphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate?

The InChIKey is QHQUBCUWAKMGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H56O9Si2/c1-31-15-16-32(29-39(31)46-4)13-11-27-53(7,8)52-54(9,10)28-12-14-33-17-26-38(40(30-33)47-5)51-42(45)50-37-24-20-35(21-25-37)43(2,3)34-18-22-36(23-19-34)49-41(44)48-6/h15-26,29-30H,11-14,27-28H2,1-10H3.

What are the key properties of [4-[2-(4-methoxycarbonyloxyphenyl)propan-2-yl]phenyl] [2-methoxy-4-[3-[[3-(3-methoxy-4-methylphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate?

[4-[2-(4-methoxycarbonyloxyphenyl)propan-2-yl]phenyl] [2-methoxy-4-[3-[[3-(3-methoxy-4-methylphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate has a molecular weight of 773.08 g/mol, XLogP of 11.05, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-(4-methoxycarbonyloxyphenyl)propan-2-yl]phenyl] [2-methoxy-4-[3-[[3-(3-methoxy-4-methylphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate is sourced from PubChem (CID 140751424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).