1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one

C13H25NO3Si — CID 141372311

IUPAC1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
SMILESCC(=O)N1CC(C(C)O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C13H25NO3Si/c1-9(17-18(6,7)13(3,4)5)11-8-14(10(2)15)12(11)16/h9,11H,8H2,1-7H3
InChIKeyWXLDWWMGOLTXFQ-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.40
Rot. Bonds3

About 1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one

1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one (PubChem CID 141372311) has the molecular formula C13H25NO3Si and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one.

Molecular Properties

Compound Name1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
PubChem CID141372311
Molecular FormulaC13H25NO3Si
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
SMILESCC(=O)N1CC(C(C)O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C13H25NO3Si/c1-9(17-18(6,7)13(3,4)5)11-8-14(10(2)15)12(11)16/h9,11H,8H2,1-7H3
InChIKeyWXLDWWMGOLTXFQ-UHFFFAOYSA-N
XLogP2.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one
CID 44550582
(4R,5S,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-methylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 22851424
(4R)-4-acetyl-1-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 141191572
(3S,4S)-4-acetyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 13488756
(5R,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylsulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 67684120
6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dimethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 67908531
methyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfanyl-4-oxoazetidin-1-yl]-3-methylbut-2-enoate
CID 44598755
(4S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 101045025
3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one
CID 171088967
tert-butyl-(1-cyclopropylethoxy)-dimethylsilane
CID 22391705
tert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate
CID 11372630
(7R,8S)-8-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5,9-dioxo-1-azabicyclo[5.2.0]non-2-ene-2-carboxylic acid
CID 67755645

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one?
The IUPAC name of 1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one (CID 141372311) is 1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one.
What is the SMILES notation for 1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one?
The canonical SMILES for 1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one is CC(=O)N1CC(C(C)O[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of 1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one?
The InChIKey is WXLDWWMGOLTXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3Si/c1-9(17-18(6,7)13(3,4)5)11-8-14(10(2)15)12(11)16/h9,11H,8H2,1-7H3.
What are the key properties of 1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one?
1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one has a molecular weight of 271.43 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one is sourced from PubChem (CID 141372311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).