[5-[2-[[2-(3,4-dimethoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2-methoxyphenyl]methanol

C24H38O5Si2 — CID 160591805

About [5-[2-[[2-(3,4-dimethoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2-methoxyphenyl]methanol

[5-[2-[[2-(3,4-dimethoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2-methoxyphenyl]methanol (PubChem CID 160591805) has the molecular formula C24H38O5Si2 and a molecular weight of 462.74 g/mol. Its IUPAC name is [5-[2-[[2-(3,4-dimethoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2-methoxyphenyl]methanol.

Molecular Properties

• Compound Name: [5-[2-[[2-(3,4-dimethoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2-methoxyphenyl]methanol
• PubChem CID: 160591805
• Molecular Formula: C24H38O5Si2
• Molecular Weight: 462.74 g/mol
• Exact Mass: 462.23
• IUPAC Name: [5-[2-[[2-(3,4-dimethoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2-methoxyphenyl]methanol
• SMILES: COc1ccc(CC[Si](C)(C)O[Si](C)(C)CCc2ccc(OC)c(OC)c2)cc1CO
• InChI: InChI=1S/C24H38O5Si2/c1-26-22-10-8-19(16-21(22)18-25)12-14-30(4,5)29-31(6,7)15-13-20-9-11-23(27-2)24(17-20)28-3/h8-11,16-17,25H,12-15,18H2,1-7H3
• InChIKey: XVFHMHQKGIFILO-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.74
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-[2-[[2-(3,4-dimethoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2-methoxyphenyl]methanol?

The IUPAC name of [5-[2-[[2-(3,4-dimethoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2-methoxyphenyl]methanol (CID 160591805) is [5-[2-[[2-(3,4-dimethoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2-methoxyphenyl]methanol.

What is the SMILES notation for [5-[2-[[2-(3,4-dimethoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2-methoxyphenyl]methanol?

The canonical SMILES for [5-[2-[[2-(3,4-dimethoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2-methoxyphenyl]methanol is COc1ccc(CC[Si](C)(C)O[Si](C)(C)CCc2ccc(OC)c(OC)c2)cc1CO.

What is the InChIKey of [5-[2-[[2-(3,4-dimethoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2-methoxyphenyl]methanol?

The InChIKey is XVFHMHQKGIFILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O5Si2/c1-26-22-10-8-19(16-21(22)18-25)12-14-30(4,5)29-31(6,7)15-13-20-9-11-23(27-2)24(17-20)28-3/h8-11,16-17,25H,12-15,18H2,1-7H3.

What are the key properties of [5-[2-[[2-(3,4-dimethoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2-methoxyphenyl]methanol?

[5-[2-[[2-(3,4-dimethoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2-methoxyphenyl]methanol has a molecular weight of 462.74 g/mol, XLogP of 5.42, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[2-[[2-(3,4-dimethoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2-methoxyphenyl]methanol is sourced from PubChem (CID 160591805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).