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

C24H33NO3Si — CID 86689032

IUPACbutyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate
SMILESCCCCOC(=O)N1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C24H33NO3Si/c1-5-6-17-27-23(26)25-18-20(19-25)28-29(24(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20H,5-6,17-19H2,1-4H3
InChIKeyYMPGSRAYHUWEGU-UHFFFAOYSA-N
MW411.62 g/mol
LogP4.18
Rot. Bonds7

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

butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate (PubChem CID 86689032) has the molecular formula C24H33NO3Si and a molecular weight of 411.62 g/mol. Its IUPAC name is butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate
PubChem CID86689032
Molecular FormulaC24H33NO3Si
Molecular Weight411.62 g/mol
Exact Mass411.22
IUPAC Namebutyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate
SMILESCCCCOC(=O)N1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C24H33NO3Si/c1-5-6-17-27-23(26)25-18-20(19-25)28-29(24(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20H,5-6,17-19H2,1-4H3
InChIKeyYMPGSRAYHUWEGU-UHFFFAOYSA-N
XLogP4.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate?
The IUPAC name of butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate (CID 86689032) is butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate.
What is the SMILES notation for butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate?
The canonical SMILES for butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate is CCCCOC(=O)N1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate?
The InChIKey is YMPGSRAYHUWEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3Si/c1-5-6-17-27-23(26)25-18-20(19-25)28-29(24(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20H,5-6,17-19H2,1-4H3.
What are the key properties of butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate?
butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate has a molecular weight of 411.62 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxylate is sourced from PubChem (CID 86689032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).