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

IUPAC1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one
SMILESCC(O[Si](C)(C)C(C)(C)C)C1C(=O)N([Si](C)(C)C(C)(C)C)C1C(C)C(=O)n1ccnc1
InChIInChI=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
InChIKeyUMGJUVJJNUZJDL-UHFFFAOYSA-N
MW465.79 g/mol
LogP5.40
Rot. Bonds6

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 Name1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one
PubChem CID58434553
Molecular FormulaC23H43N3O3Si2
Molecular Weight465.79 g/mol
Exact Mass465.28
IUPAC Name1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-imidazol-1-yl-1-oxopropan-2-yl)azetidin-2-one
SMILESCC(O[Si](C)(C)C(C)(C)C)C1C(=O)N([Si](C)(C)C(C)(C)C)C1C(C)C(=O)n1ccnc1
InChIInChI=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
InChIKeyUMGJUVJJNUZJDL-UHFFFAOYSA-N
XLogP5.40
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.79
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).