tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate

C25H33NO4Si — CID 85310435

IUPACtert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H33NO4Si/c1-24(2,3)30-23(28)26-17-22(27)21(26)18-29-31(25(4,5)6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21H,17-18H2,1-6H3
InChIKeyRKEPYTIALHSMPP-UHFFFAOYSA-N
MW439.63 g/mol
LogP3.75
Rot. Bonds5

About tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate

tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate (PubChem CID 85310435) has the molecular formula C25H33NO4Si and a molecular weight of 439.63 g/mol. Its IUPAC name is tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate
PubChem CID85310435
Molecular FormulaC25H33NO4Si
Molecular Weight439.63 g/mol
Exact Mass439.22
IUPAC Nametert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H33NO4Si/c1-24(2,3)30-23(28)26-17-22(27)21(26)18-29-31(25(4,5)6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21H,17-18H2,1-6H3
InChIKeyRKEPYTIALHSMPP-UHFFFAOYSA-N
XLogP3.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.63
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate (CID 85310435) is tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(=O)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate?
The InChIKey is RKEPYTIALHSMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO4Si/c1-24(2,3)30-23(28)26-17-22(27)21(26)18-29-31(25(4,5)6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21H,17-18H2,1-6H3.
What are the key properties of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate?
tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate has a molecular weight of 439.63 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate is sourced from PubChem (CID 85310435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).