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

C27H37NO4Si — CID 25178002

IUPACtert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CO)=CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C27H37NO4Si/c1-26(2,3)31-25(30)28-18-21(20-29)17-22(19-28)32-33(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-17,22,29H,18-20H2,1-6H3
InChIKeyXMUYTPSVEOIFRS-UHFFFAOYSA-N
MW467.68 g/mol
LogP4.10
Rot. Bonds5

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

tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 25178002) has the molecular formula C27H37NO4Si and a molecular weight of 467.68 g/mol. Its IUPAC name is tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID25178002
Molecular FormulaC27H37NO4Si
Molecular Weight467.68 g/mol
Exact Mass467.25
IUPAC Nametert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CO)=CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C27H37NO4Si/c1-26(2,3)31-25(30)28-18-21(20-29)17-22(19-28)32-33(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-17,22,29H,18-20H2,1-6H3
InChIKeyXMUYTPSVEOIFRS-UHFFFAOYSA-N
XLogP4.10
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.68
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 25178002) is tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC(CO)=CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is XMUYTPSVEOIFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO4Si/c1-26(2,3)31-25(30)28-18-21(20-29)17-22(19-28)32-33(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-17,22,29H,18-20H2,1-6H3.
What are the key properties of tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 467.68 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 25178002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).