benzyl 3-phenyl-2-trimethylsilyl-3-trimethylsilyloxyazetidine-1-carboxylate

C23H33NO3Si2 — CID 134926260

IUPACbenzyl 3-phenyl-2-trimethylsilyl-3-trimethylsilyloxyazetidine-1-carboxylate
SMILESC[Si](C)(C)OC1(c2ccccc2)CN(C(=O)OCc2ccccc2)C1[Si](C)(C)C
InChIInChI=1S/C23H33NO3Si2/c1-28(2,3)21-23(27-29(4,5)6,20-15-11-8-12-16-20)18-24(21)22(25)26-17-19-13-9-7-10-14-19/h7-16,21H,17-18H2,1-6H3
InChIKeyJQQWAMZKLXPIKU-UHFFFAOYSA-N
MW427.69 g/mol
LogP5.63
Rot. Bonds6

About benzyl 3-phenyl-2-trimethylsilyl-3-trimethylsilyloxyazetidine-1-carboxylate

benzyl 3-phenyl-2-trimethylsilyl-3-trimethylsilyloxyazetidine-1-carboxylate (PubChem CID 134926260) has the molecular formula C23H33NO3Si2 and a molecular weight of 427.69 g/mol. Its IUPAC name is benzyl 3-phenyl-2-trimethylsilyl-3-trimethylsilyloxyazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-phenyl-2-trimethylsilyl-3-trimethylsilyloxyazetidine-1-carboxylate
PubChem CID134926260
Molecular FormulaC23H33NO3Si2
Molecular Weight427.69 g/mol
Exact Mass427.20
IUPAC Namebenzyl 3-phenyl-2-trimethylsilyl-3-trimethylsilyloxyazetidine-1-carboxylate
SMILESC[Si](C)(C)OC1(c2ccccc2)CN(C(=O)OCc2ccccc2)C1[Si](C)(C)C
InChIInChI=1S/C23H33NO3Si2/c1-28(2,3)21-23(27-29(4,5)6,20-15-11-8-12-16-20)18-24(21)22(25)26-17-19-13-9-7-10-14-19/h7-16,21H,17-18H2,1-6H3
InChIKeyJQQWAMZKLXPIKU-UHFFFAOYSA-N
XLogP5.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.69
LogP ≤ 55.63
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

Tert-butyl 3-(2,3-difluorophenyl)-3-methoxyazetidine-1-carboxylate
CID 66995363
(4S)-3-[[iodomethyl(dimethyl)silyl]methyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 12076581
Benzyl 3-hydroxy-3-phenylazetidine-1-carboxylate
CID 10826827
Benzyl 3-phenylazetidine-1-carboxylate
CID 71721233
3-Butoxy-3-(2-fluorophenyl)-1-(tert-butoxycarbonyl)azetidine
CID 66988998
Benzyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate
CID 122586117
Tert-butyl 3-(4-fluorophenyl)-3-methoxyazetidine-1-carboxylate
CID 137499380
Benzyl 3-(fluoromethyl)-3-phenylazetidine-1-carboxylate
CID 177994666
benzyl N-methyl-N-(2-phenylethyl)carbamate
CID 70850693
Benzyl 3-phenyl-3-trimethylsilyloxyazetidine-1-carboxylate
CID 10498429
benzyl (2S,3S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate
CID 10874140
(4S)-5,5-diphenyl-4-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one
CID 11211500

Frequently Asked Questions

What is the IUPAC name of benzyl 3-phenyl-2-trimethylsilyl-3-trimethylsilyloxyazetidine-1-carboxylate?
The IUPAC name of benzyl 3-phenyl-2-trimethylsilyl-3-trimethylsilyloxyazetidine-1-carboxylate (CID 134926260) is benzyl 3-phenyl-2-trimethylsilyl-3-trimethylsilyloxyazetidine-1-carboxylate.
What is the SMILES notation for benzyl 3-phenyl-2-trimethylsilyl-3-trimethylsilyloxyazetidine-1-carboxylate?
The canonical SMILES for benzyl 3-phenyl-2-trimethylsilyl-3-trimethylsilyloxyazetidine-1-carboxylate is C[Si](C)(C)OC1(c2ccccc2)CN(C(=O)OCc2ccccc2)C1[Si](C)(C)C.
What is the InChIKey of benzyl 3-phenyl-2-trimethylsilyl-3-trimethylsilyloxyazetidine-1-carboxylate?
The InChIKey is JQQWAMZKLXPIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO3Si2/c1-28(2,3)21-23(27-29(4,5)6,20-15-11-8-12-16-20)18-24(21)22(25)26-17-19-13-9-7-10-14-19/h7-16,21H,17-18H2,1-6H3.
What are the key properties of benzyl 3-phenyl-2-trimethylsilyl-3-trimethylsilyloxyazetidine-1-carboxylate?
benzyl 3-phenyl-2-trimethylsilyl-3-trimethylsilyloxyazetidine-1-carboxylate has a molecular weight of 427.69 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-phenyl-2-trimethylsilyl-3-trimethylsilyloxyazetidine-1-carboxylate is sourced from PubChem (CID 134926260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).