tert-butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate

C24H33NO3Si — CID 58072157

IUPACtert-butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C24H33NO3Si/c1-23(2,3)27-22(26)25-17-19(18-25)28-29(24(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19H,17-18H2,1-6H3
InChIKeyDZNQLOWQIZIUHX-UHFFFAOYSA-N
MW411.62 g/mol
LogP4.18
Rot. Bonds4

About tert-butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate

tert-butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate (PubChem CID 58072157) has the molecular formula C24H33NO3Si and a molecular weight of 411.62 g/mol. Its IUPAC name is tert-butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate
PubChem CID58072157
Molecular FormulaC24H33NO3Si
Molecular Weight411.62 g/mol
Exact Mass411.22
IUPAC Nametert-butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C24H33NO3Si/c1-23(2,3)27-22(26)25-17-19(18-25)28-29(24(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19H,17-18H2,1-6H3
InChIKeyDZNQLOWQIZIUHX-UHFFFAOYSA-N
XLogP4.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.62
LogP ≤ 54.18
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

CID 13008516
CID 13008516
CID 162415527
CID 162415527
CID 58080117
CID 58080117
CID 58080217
CID 58080217
CID 66723636
CID 66723636
CID 141325288
CID 141325288
CID 144324183
CID 144324183
CID 144324241
CID 144324241
CID 172577445
CID 172577445
CID 10906301
CID 10906301
CID 11270902
CID 11270902
CID 11618502
CID 11618502

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate (CID 58072157) is tert-butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate?
The InChIKey is DZNQLOWQIZIUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3Si/c1-23(2,3)27-22(26)25-17-19(18-25)28-29(24(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19H,17-18H2,1-6H3.
What are the key properties of tert-butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate?
tert-butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate has a molecular weight of 411.62 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate is sourced from PubChem (CID 58072157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).