4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;methane

C47H76O8Si4 — CID 157275960

About 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;methane

4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;methane (PubChem CID 157275960) has the molecular formula C47H76O8Si4 and a molecular weight of 881.46 g/mol. Its IUPAC name is 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;methane.

Molecular Properties

• Compound Name: 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;methane
• PubChem CID: 157275960
• Molecular Formula: C47H76O8Si4
• Molecular Weight: 881.46 g/mol
• Exact Mass: 880.46
• IUPAC Name: 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;methane
• SMILES: C.COc1cc(CCC[Si](C)(C)O[Si](C)(C)CCCc2ccc(O)c(CO)c2)ccc1O.C[Si](C)(CCCc1ccccc1O)O[Si](C)(C)CCCc1ccccc1O
• InChI: InChI=1S/C24H38O5Si2.C22H34O3Si2.CH4/c1-28-24-17-20(11-13-23(24)27)9-7-15-31(4,5)29-30(2,3)14-6-8-19-10-12-22(26)21(16-19)18-25;1-26(2,17-9-13-19-11-5-7-15-21(19)23)25-27(3,4)18-10-14-20-12-6-8-16-22(20)24;/h10-13,16-17,25-27H,6-9,14-15,18H2,1-5H3;5-8,11-12,15-16,23-24H,9-10,13-14,17-18H2,1-4H3;1H4
• InChIKey: AZCINBIYZSNLSJ-UHFFFAOYSA-N
• XLogP: 12.32
• TPSA: 128.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 22
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.46
LogP ≤ 5	12.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;methane?

The IUPAC name of 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;methane (CID 157275960) is 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;methane.

What is the SMILES notation for 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;methane?

The canonical SMILES for 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;methane is C.COc1cc(CCC[Si](C)(C)O[Si](C)(C)CCCc2ccc(O)c(CO)c2)ccc1O.C[Si](C)(CCCc1ccccc1O)O[Si](C)(C)CCCc1ccccc1O.

What is the InChIKey of 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;methane?

The InChIKey is AZCINBIYZSNLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O5Si2.C22H34O3Si2.CH4/c1-28-24-17-20(11-13-23(24)27)9-7-15-31(4,5)29-30(2,3)14-6-8-19-10-12-22(26)21(16-19)18-25;1-26(2,17-9-13-19-11-5-7-15-21(19)23)25-27(3,4)18-10-14-20-12-6-8-16-22(20)24;/h10-13,16-17,25-27H,6-9,14-15,18H2,1-5H3;5-8,11-12,15-16,23-24H,9-10,13-14,17-18H2,1-4H3;1H4.

What are the key properties of 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;methane?

4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;methane has a molecular weight of 881.46 g/mol, XLogP of 12.32, 22 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;methane is sourced from PubChem (CID 157275960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).