benzyl 3-phenyl-3-trimethylsilyloxyazetidine-1-carboxylate

C20H25NO3Si — CID 10498429

IUPACbenzyl 3-phenyl-3-trimethylsilyloxyazetidine-1-carboxylate
SMILESC[Si](C)(C)OC1(c2ccccc2)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C20H25NO3Si/c1-25(2,3)24-20(18-12-8-5-9-13-18)15-21(16-20)19(22)23-14-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3
InChIKeyIGPYWJGGFXJYOR-UHFFFAOYSA-N
MW355.51 g/mol
LogP4.39
Rot. Bonds5

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

benzyl 3-phenyl-3-trimethylsilyloxyazetidine-1-carboxylate (PubChem CID 10498429) has the molecular formula C20H25NO3Si and a molecular weight of 355.51 g/mol. Its IUPAC name is benzyl 3-phenyl-3-trimethylsilyloxyazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-phenyl-3-trimethylsilyloxyazetidine-1-carboxylate
PubChem CID10498429
Molecular FormulaC20H25NO3Si
Molecular Weight355.51 g/mol
Exact Mass355.16
IUPAC Namebenzyl 3-phenyl-3-trimethylsilyloxyazetidine-1-carboxylate
SMILESC[Si](C)(C)OC1(c2ccccc2)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C20H25NO3Si/c1-25(2,3)24-20(18-12-8-5-9-13-18)15-21(16-20)19(22)23-14-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3
InChIKeyIGPYWJGGFXJYOR-UHFFFAOYSA-N
XLogP4.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.39
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

1-Methyl-3-phenyl-3-phenylmethoxyazetidine;hydrochloride
CID 71727991
Ethyl 4-phenyl-4-phenylmethoxypiperidine-1-carboxylate
CID 12542659
benzyl (4S,5S)-4-benzyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate
CID 57311188
Tert-butyl 3-(2,3-difluorophenyl)-3-methoxyazetidine-1-carboxylate
CID 66995363
tert-butyl N-methyl-N-[(2R,3R)-2-phenyloxetan-3-yl]carbamate
CID 10682971
(4S)-3-[[iodomethyl(dimethyl)silyl]methyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 12076581
tert-butyl N-benzyl-N-[(2R,3R)-3-methyl-2-phenyloxetan-3-yl]carbamate
CID 21608979
tert-butyl N-benzyl-N-[(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl]carbamate
CID 21608983
Tert-butyl 3-(phenylmethoxymethyl)-2-azaspiro[3.5]nonane-2-carboxylate
CID 9928166
Benzyl 3-hydroxy-3-phenylazetidine-1-carboxylate
CID 10826827
(4S)-3-methyl-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 59426821
Benzyl 3-phenylazetidine-1-carboxylate
CID 71721233

Frequently Asked Questions

What is the IUPAC name of benzyl 3-phenyl-3-trimethylsilyloxyazetidine-1-carboxylate?
The IUPAC name of benzyl 3-phenyl-3-trimethylsilyloxyazetidine-1-carboxylate (CID 10498429) is benzyl 3-phenyl-3-trimethylsilyloxyazetidine-1-carboxylate.
What is the SMILES notation for benzyl 3-phenyl-3-trimethylsilyloxyazetidine-1-carboxylate?
The canonical SMILES for benzyl 3-phenyl-3-trimethylsilyloxyazetidine-1-carboxylate is C[Si](C)(C)OC1(c2ccccc2)CN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-phenyl-3-trimethylsilyloxyazetidine-1-carboxylate?
The InChIKey is IGPYWJGGFXJYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3Si/c1-25(2,3)24-20(18-12-8-5-9-13-18)15-21(16-20)19(22)23-14-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3.
What are the key properties of benzyl 3-phenyl-3-trimethylsilyloxyazetidine-1-carboxylate?
benzyl 3-phenyl-3-trimethylsilyloxyazetidine-1-carboxylate has a molecular weight of 355.51 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-phenyl-3-trimethylsilyloxyazetidine-1-carboxylate is sourced from PubChem (CID 10498429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).