[3-[ethoxy-[ethoxy(dimethyl)silyl]oxy-phenylsilyl]propyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

C35H49O6PSi2 — CID 67952431

About [3-[ethoxy-[ethoxy(dimethyl)silyl]oxy-phenylsilyl]propyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

[3-[ethoxy-[ethoxy(dimethyl)silyl]oxy-phenylsilyl]propyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 67952431) has the molecular formula C35H49O6PSi2 and a molecular weight of 652.92 g/mol. Its IUPAC name is [3-[ethoxy-[ethoxy(dimethyl)silyl]oxy-phenylsilyl]propyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

• Compound Name: [3-[ethoxy-[ethoxy(dimethyl)silyl]oxy-phenylsilyl]propyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
• PubChem CID: 67952431
• Molecular Formula: C35H49O6PSi2
• Molecular Weight: 652.92 g/mol
• Exact Mass: 652.28
• IUPAC Name: [3-[ethoxy-[ethoxy(dimethyl)silyl]oxy-phenylsilyl]propyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
• SMILES: CCO[Si](C)(C)O[Si](CCCP(=O)(C(=O)c1c(C)cc(C)cc1C)C(=O)c1c(C)cc(C)cc1C)(OCC)c1ccccc1
• InChI: InChI=1S/C35H49O6PSi2/c1-11-39-43(9,10)41-44(40-12-2,31-17-14-13-15-18-31)20-16-19-42(38,34(36)32-27(5)21-25(3)22-28(32)6)35(37)33-29(7)23-26(4)24-30(33)8/h13-15,17-18,21-24H,11-12,16,19-20H2,1-10H3
• InChIKey: HNRSFNDEUIDATN-UHFFFAOYSA-N
• XLogP: 8.41
• TPSA: 78.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.92
LogP ≤ 5	8.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[ethoxy-[ethoxy(dimethyl)silyl]oxy-phenylsilyl]propyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?

The IUPAC name of [3-[ethoxy-[ethoxy(dimethyl)silyl]oxy-phenylsilyl]propyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 67952431) is [3-[ethoxy-[ethoxy(dimethyl)silyl]oxy-phenylsilyl]propyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.

What is the SMILES notation for [3-[ethoxy-[ethoxy(dimethyl)silyl]oxy-phenylsilyl]propyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?

The canonical SMILES for [3-[ethoxy-[ethoxy(dimethyl)silyl]oxy-phenylsilyl]propyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is CCO[Si](C)(C)O[Si](CCCP(=O)(C(=O)c1c(C)cc(C)cc1C)C(=O)c1c(C)cc(C)cc1C)(OCC)c1ccccc1.

What is the InChIKey of [3-[ethoxy-[ethoxy(dimethyl)silyl]oxy-phenylsilyl]propyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?

The InChIKey is HNRSFNDEUIDATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H49O6PSi2/c1-11-39-43(9,10)41-44(40-12-2,31-17-14-13-15-18-31)20-16-19-42(38,34(36)32-27(5)21-25(3)22-28(32)6)35(37)33-29(7)23-26(4)24-30(33)8/h13-15,17-18,21-24H,11-12,16,19-20H2,1-10H3.

What are the key properties of [3-[ethoxy-[ethoxy(dimethyl)silyl]oxy-phenylsilyl]propyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?

[3-[ethoxy-[ethoxy(dimethyl)silyl]oxy-phenylsilyl]propyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 652.92 g/mol, XLogP of 8.41, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[ethoxy-[ethoxy(dimethyl)silyl]oxy-phenylsilyl]propyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 67952431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).