[5-[3-[[3-(3-methoxy-4-propan-2-yloxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-propan-2-yloxyphenyl]methanol

C30H50O5Si2 — CID 140768575

About [5-[3-[[3-(3-methoxy-4-propan-2-yloxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-propan-2-yloxyphenyl]methanol

[5-[3-[[3-(3-methoxy-4-propan-2-yloxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-propan-2-yloxyphenyl]methanol (PubChem CID 140768575) has the molecular formula C30H50O5Si2 and a molecular weight of 546.90 g/mol. Its IUPAC name is [5-[3-[[3-(3-methoxy-4-propan-2-yloxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-propan-2-yloxyphenyl]methanol.

Molecular Properties

• Compound Name: [5-[3-[[3-(3-methoxy-4-propan-2-yloxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-propan-2-yloxyphenyl]methanol
• PubChem CID: 140768575
• Molecular Formula: C30H50O5Si2
• Molecular Weight: 546.90 g/mol
• Exact Mass: 546.32
• IUPAC Name: [5-[3-[[3-(3-methoxy-4-propan-2-yloxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-propan-2-yloxyphenyl]methanol
• SMILES: COc1cc(CCC[Si](C)(C)O[Si](C)(C)CCCc2ccc(OC(C)C)c(CO)c2)ccc1OC(C)C
• InChI: InChI=1S/C30H50O5Si2/c1-23(2)33-28-16-14-25(20-27(28)22-31)12-10-18-36(6,7)35-37(8,9)19-11-13-26-15-17-29(34-24(3)4)30(21-26)32-5/h14-17,20-21,23-24,31H,10-13,18-19,22H2,1-9H3
• InChIKey: TVEIUQREKQFYCI-UHFFFAOYSA-N
• XLogP: 7.75
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.90
LogP ≤ 5	7.75
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-[3-[[3-(3-methoxy-4-propan-2-yloxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-propan-2-yloxyphenyl]methanol?

The IUPAC name of [5-[3-[[3-(3-methoxy-4-propan-2-yloxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-propan-2-yloxyphenyl]methanol (CID 140768575) is [5-[3-[[3-(3-methoxy-4-propan-2-yloxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-propan-2-yloxyphenyl]methanol.

What is the SMILES notation for [5-[3-[[3-(3-methoxy-4-propan-2-yloxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-propan-2-yloxyphenyl]methanol?

The canonical SMILES for [5-[3-[[3-(3-methoxy-4-propan-2-yloxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-propan-2-yloxyphenyl]methanol is COc1cc(CCC[Si](C)(C)O[Si](C)(C)CCCc2ccc(OC(C)C)c(CO)c2)ccc1OC(C)C.

What is the InChIKey of [5-[3-[[3-(3-methoxy-4-propan-2-yloxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-propan-2-yloxyphenyl]methanol?

The InChIKey is TVEIUQREKQFYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50O5Si2/c1-23(2)33-28-16-14-25(20-27(28)22-31)12-10-18-36(6,7)35-37(8,9)19-11-13-26-15-17-29(34-24(3)4)30(21-26)32-5/h14-17,20-21,23-24,31H,10-13,18-19,22H2,1-9H3.

What are the key properties of [5-[3-[[3-(3-methoxy-4-propan-2-yloxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-propan-2-yloxyphenyl]methanol?

[5-[3-[[3-(3-methoxy-4-propan-2-yloxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-propan-2-yloxyphenyl]methanol has a molecular weight of 546.90 g/mol, XLogP of 7.75, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[3-[[3-(3-methoxy-4-propan-2-yloxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-propan-2-yloxyphenyl]methanol is sourced from PubChem (CID 140768575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).