tert-butyl 2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate

C18H29NO4SSi — CID 22670494

IUPACtert-butyl 2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate
SMILESCC[Si](CC)(CC)OC1C(=O)N(C(=O)OC(C)(C)C)C1c1ccsc1
InChIInChI=1S/C18H29NO4SSi/c1-7-25(8-2,9-3)23-15-14(13-10-11-24-12-13)19(16(15)20)17(21)22-18(4,5)6/h10-12,14-15H,7-9H2,1-6H3
InChIKeyRNGFQGCVBOSBIQ-UHFFFAOYSA-N
MW383.59 g/mol
LogP4.96
Rot. Bonds6

About tert-butyl 2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate

tert-butyl 2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate (PubChem CID 22670494) has the molecular formula C18H29NO4SSi and a molecular weight of 383.59 g/mol. Its IUPAC name is tert-butyl 2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate
PubChem CID22670494
Molecular FormulaC18H29NO4SSi
Molecular Weight383.59 g/mol
Exact Mass383.16
IUPAC Nametert-butyl 2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate
SMILESCC[Si](CC)(CC)OC1C(=O)N(C(=O)OC(C)(C)C)C1c1ccsc1
InChIInChI=1S/C18H29NO4SSi/c1-7-25(8-2,9-3)23-15-14(13-10-11-24-12-13)19(16(15)20)17(21)22-18(4,5)6/h10-12,14-15H,7-9H2,1-6H3
InChIKeyRNGFQGCVBOSBIQ-UHFFFAOYSA-N
XLogP4.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.59
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3R,4S)-2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate
CID 54275683
tert-butyl 2-cyclopentyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate
CID 22670513
1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one
CID 15215130
tert-butyl (3S,4S)-3-benzoyloxy-2-oxo-4-phenylazetidine-1-carboxylate
CID 146032902
tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate
CID 53426264
tert-butyl 3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate
CID 11988555
tert-butyl (4S)-3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate
CID 143371339
1-benzoyl-4-(4-bromophenyl)-3-triethylsilyloxyazetidin-2-one
CID 22034413
tert-butyl (2S,3S)-3-thiophen-3-yloxirane-2-carboxylate
CID 11413495
tert-butyl (3S)-3-acetyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 67735629
tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 21299736
ditert-butyl (2R,5S)-2-methyl-5-thiophen-3-ylpiperazine-1,4-dicarboxylate
CID 169115223

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate (CID 22670494) is tert-butyl 2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate is CC[Si](CC)(CC)OC1C(=O)N(C(=O)OC(C)(C)C)C1c1ccsc1.
What is the InChIKey of tert-butyl 2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate?
The InChIKey is RNGFQGCVBOSBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4SSi/c1-7-25(8-2,9-3)23-15-14(13-10-11-24-12-13)19(16(15)20)17(21)22-18(4,5)6/h10-12,14-15H,7-9H2,1-6H3.
What are the key properties of tert-butyl 2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate?
tert-butyl 2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate has a molecular weight of 383.59 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate is sourced from PubChem (CID 22670494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).