1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenyl-5-trimethylsilylpent-4-yn-2-ol

C21H36O2Si2 — CID 10667277

About 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenyl-5-trimethylsilylpent-4-yn-2-ol

1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenyl-5-trimethylsilylpent-4-yn-2-ol (PubChem CID 10667277) has the molecular formula C21H36O2Si2 and a molecular weight of 376.69 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenyl-5-trimethylsilylpent-4-yn-2-ol.

Molecular Properties

• Compound Name: 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenyl-5-trimethylsilylpent-4-yn-2-ol
• PubChem CID: 10667277
• Molecular Formula: C21H36O2Si2
• Molecular Weight: 376.69 g/mol
• Exact Mass: 376.23
• IUPAC Name: 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenyl-5-trimethylsilylpent-4-yn-2-ol
• SMILES: CC(C#C[Si](C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)c1ccccc1
• InChI: InChI=1S/C21H36O2Si2/c1-17(15-16-24(5,6)7)19(22)20(18-13-11-10-12-14-18)23-25(8,9)21(2,3)4/h10-14,17,19-20,22H,1-9H3
• InChIKey: HKUQCRZHLGCCQC-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.69
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenyl-5-trimethylsilylpent-4-yn-2-ol?

The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenyl-5-trimethylsilylpent-4-yn-2-ol (CID 10667277) is 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenyl-5-trimethylsilylpent-4-yn-2-ol.

What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenyl-5-trimethylsilylpent-4-yn-2-ol?

The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenyl-5-trimethylsilylpent-4-yn-2-ol is CC(C#C[Si](C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)c1ccccc1.

What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenyl-5-trimethylsilylpent-4-yn-2-ol?

The InChIKey is HKUQCRZHLGCCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O2Si2/c1-17(15-16-24(5,6)7)19(22)20(18-13-11-10-12-14-18)23-25(8,9)21(2,3)4/h10-14,17,19-20,22H,1-9H3.

What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenyl-5-trimethylsilylpent-4-yn-2-ol?

1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenyl-5-trimethylsilylpent-4-yn-2-ol has a molecular weight of 376.69 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenyl-5-trimethylsilylpent-4-yn-2-ol is sourced from PubChem (CID 10667277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).