tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate

C28H37NO3Si — CID 135066877

IUPACtert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CC1=CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C28H37NO3Si/c1-8-22-19-23(21-29(20-22)26(30)31-27(2,3)4)32-33(28(5,6)7,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h8-19,23H,1,20-21H2,2-7H3
InChIKeyUTJUHCRETMRXIX-UHFFFAOYSA-N
MW463.69 g/mol
LogP5.29
Rot. Bonds5

About tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 135066877) has the molecular formula C28H37NO3Si and a molecular weight of 463.69 g/mol. Its IUPAC name is tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID135066877
Molecular FormulaC28H37NO3Si
Molecular Weight463.69 g/mol
Exact Mass463.25
IUPAC Nametert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CC1=CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C28H37NO3Si/c1-8-22-19-23(21-29(20-22)26(30)31-27(2,3)4)32-33(28(5,6)7,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h8-19,23H,1,20-21H2,2-7H3
InChIKeyUTJUHCRETMRXIX-UHFFFAOYSA-N
XLogP5.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.69
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[tert-butyl(diphenyl)silyl]oxy-5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 135066877) is tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate is C=CC1=CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is UTJUHCRETMRXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37NO3Si/c1-8-22-19-23(21-29(20-22)26(30)31-27(2,3)4)32-33(28(5,6)7,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h8-19,23H,1,20-21H2,2-7H3.
What are the key properties of tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 463.69 g/mol, XLogP of 5.29, 5 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]oxy-5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 135066877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).