tert-butyl-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoxy]-dimethylsilane

C22H43NO2SSi2 — CID 10993911

About tert-butyl-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoxy]-dimethylsilane

tert-butyl-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoxy]-dimethylsilane (PubChem CID 10993911) has the molecular formula C22H43NO2SSi2 and a molecular weight of 441.83 g/mol. Its IUPAC name is tert-butyl-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoxy]-dimethylsilane
• PubChem CID: 10993911
• Molecular Formula: C22H43NO2SSi2
• Molecular Weight: 441.83 g/mol
• Exact Mass: 441.26
• IUPAC Name: tert-butyl-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoxy]-dimethylsilane
• SMILES: C/C(=C\c1csc(C)n1)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C22H43NO2SSi2/c1-17(15-19-16-26-18(2)23-19)20(25-28(11,12)22(6,7)8)13-14-24-27(9,10)21(3,4)5/h15-16,20H,13-14H2,1-12H3/b17-15+/t20-/m0/s1
• InChIKey: RTOAKMZRZCVXII-UQCBTIDJSA-N
• XLogP: 7.66
• TPSA: 31.35 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.83
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoxy]-dimethylsilane (CID 10993911) is tert-butyl-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoxy]-dimethylsilane is C/C(=C\c1csc(C)n1)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoxy]-dimethylsilane?

The InChIKey is RTOAKMZRZCVXII-UQCBTIDJSA-N. The full InChI is InChI=1S/C22H43NO2SSi2/c1-17(15-19-16-26-18(2)23-19)20(25-28(11,12)22(6,7)8)13-14-24-27(9,10)21(3,4)5/h15-16,20H,13-14H2,1-12H3/b17-15+/t20-/m0/s1.

What are the key properties of tert-butyl-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoxy]-dimethylsilane?

tert-butyl-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoxy]-dimethylsilane has a molecular weight of 441.83 g/mol, XLogP of 7.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 10993911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).