tert-butyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate

C32H37NO4Si — CID 53254258

IUPACtert-butyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C32H37NO4Si/c1-31(2,3)36-30(35)33-27(23-22-24-16-10-7-11-17-24)28(29(33)34)37-38(32(4,5)6,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h7-23,27-28H,1-6H3/b23-22+/t27-,28+/m1/s1
InChIKeyHCNADEHYNPBKIZ-VFZFTLRCSA-N
MW527.74 g/mol
LogP5.79
Rot. Bonds6

About tert-butyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate

tert-butyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate (PubChem CID 53254258) has the molecular formula C32H37NO4Si and a molecular weight of 527.74 g/mol. Its IUPAC name is tert-butyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate
PubChem CID53254258
Molecular FormulaC32H37NO4Si
Molecular Weight527.74 g/mol
Exact Mass527.25
IUPAC Nametert-butyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C32H37NO4Si/c1-31(2,3)36-30(35)33-27(23-22-24-16-10-7-11-17-24)28(29(33)34)37-38(32(4,5)6,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h7-23,27-28H,1-6H3/b23-22+/t27-,28+/m1/s1
InChIKeyHCNADEHYNPBKIZ-VFZFTLRCSA-N
XLogP5.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.74
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3R,4S)-3-(1-ethoxyethoxy)-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate
CID 70177342
tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-4-oxoazetidine-1-carboxylate
CID 11421732
tert-butyl 5-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate
CID 131747989
tert-butyl (3S)-3-[tert-butyl(diphenyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11351099
tert-butyl (2R)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate
CID 146168111
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
CID 11762195
tert-butyl-[[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]tin
CID 141457227
3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 85218514
tert-butyl 6-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[3.3]heptane-2-carboxylate
CID 140920935
tert-butyl (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(trimethylstannylmethyl)pyrrolidine-1-carboxylate
CID 11061202
tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate
CID 77297161
(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 169225341

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate (CID 53254258) is tert-butyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1/C=C/c1ccccc1.
What is the InChIKey of tert-butyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate?
The InChIKey is HCNADEHYNPBKIZ-VFZFTLRCSA-N. The full InChI is InChI=1S/C32H37NO4Si/c1-31(2,3)36-30(35)33-27(23-22-24-16-10-7-11-17-24)28(29(33)34)37-38(32(4,5)6,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h7-23,27-28H,1-6H3/b23-22+/t27-,28+/m1/s1.
What are the key properties of tert-butyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate?
tert-butyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate has a molecular weight of 527.74 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[(E)-2-phenylethenyl]azetidine-1-carboxylate is sourced from PubChem (CID 53254258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).