1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one

C23H43N3O3Si2 — CID 58434553

About 1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one

1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one (PubChem CID 58434553) has the molecular formula C23H43N3O3Si2 and a molecular weight of 465.79 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one.

Molecular Properties

• Compound Name: 1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one
• PubChem CID: 58434553
• Molecular Formula: C23H43N3O3Si2
• Molecular Weight: 465.79 g/mol
• Exact Mass: 465.28
• IUPAC Name: 1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one
• SMILES: CC(O[Si](C)(C)C(C)(C)C)C1C(=O)N([Si](C)(C)C(C)(C)C)C1C(C)C(=O)n1ccnc1
• InChI: InChI=1S/C23H43N3O3Si2/c1-16(20(27)25-14-13-24-15-25)19-18(17(2)29-31(11,12)23(6,7)8)21(28)26(19)30(9,10)22(3,4)5/h13-19H,1-12H3
• InChIKey: UMGJUVJJNUZJDL-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 64.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.79
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	0
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 1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one?

The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one (CID 58434553) is 1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one.

What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one?

The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one is CC(O[Si](C)(C)C(C)(C)C)C1C(=O)N([Si](C)(C)C(C)(C)C)C1C(C)C(=O)n1ccnc1.

What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one?

The InChIKey is UMGJUVJJNUZJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N3O3Si2/c1-16(20(27)25-14-13-24-15-25)19-18(17(2)29-31(11,12)23(6,7)8)21(28)26(19)30(9,10)22(3,4)5/h13-19H,1-12H3.

What are the key properties of 1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one?

1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one has a molecular weight of 465.79 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one is sourced from PubChem (CID 58434553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).