1-[1-[tert-butyl(diphenyl)silyl]oxyethyl]azetidin-2-one

C21H27NO2Si — CID 154417930

IUPAC1-[1-[tert-butyl(diphenyl)silyl]oxyethyl]azetidin-2-one
SMILESCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1CCC1=O
InChIInChI=1S/C21H27NO2Si/c1-17(22-16-15-20(22)23)24-25(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17H,15-16H2,1-4H3
InChIKeyKBQRNTWESCKXJM-UHFFFAOYSA-N
MW353.54 g/mol
LogP3.14
Rot. Bonds5

About 1-[1-[tert-butyl(diphenyl)silyl]oxyethyl]azetidin-2-one

1-[1-[tert-butyl(diphenyl)silyl]oxyethyl]azetidin-2-one (PubChem CID 154417930) has the molecular formula C21H27NO2Si and a molecular weight of 353.54 g/mol. Its IUPAC name is 1-[1-[tert-butyl(diphenyl)silyl]oxyethyl]azetidin-2-one.

Molecular Properties

Compound Name1-[1-[tert-butyl(diphenyl)silyl]oxyethyl]azetidin-2-one
PubChem CID154417930
Molecular FormulaC21H27NO2Si
Molecular Weight353.54 g/mol
Exact Mass353.18
IUPAC Name1-[1-[tert-butyl(diphenyl)silyl]oxyethyl]azetidin-2-one
SMILESCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1CCC1=O
InChIInChI=1S/C21H27NO2Si/c1-17(22-16-15-20(22)23)24-25(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17H,15-16H2,1-4H3
InChIKeyKBQRNTWESCKXJM-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[1-[tert-butyl(diphenyl)silyl]oxyethyl]azetidin-2-one?
The IUPAC name of 1-[1-[tert-butyl(diphenyl)silyl]oxyethyl]azetidin-2-one (CID 154417930) is 1-[1-[tert-butyl(diphenyl)silyl]oxyethyl]azetidin-2-one.
What is the SMILES notation for 1-[1-[tert-butyl(diphenyl)silyl]oxyethyl]azetidin-2-one?
The canonical SMILES for 1-[1-[tert-butyl(diphenyl)silyl]oxyethyl]azetidin-2-one is CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1CCC1=O.
What is the InChIKey of 1-[1-[tert-butyl(diphenyl)silyl]oxyethyl]azetidin-2-one?
The InChIKey is KBQRNTWESCKXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2Si/c1-17(22-16-15-20(22)23)24-25(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17H,15-16H2,1-4H3.
What are the key properties of 1-[1-[tert-butyl(diphenyl)silyl]oxyethyl]azetidin-2-one?
1-[1-[tert-butyl(diphenyl)silyl]oxyethyl]azetidin-2-one has a molecular weight of 353.54 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[tert-butyl(diphenyl)silyl]oxyethyl]azetidin-2-one is sourced from PubChem (CID 154417930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).