tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate

C27H35NO4Si — CID 101218123

IUPACtert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CC1=O
InChIInChI=1S/C27H35NO4Si/c1-26(2,3)32-25(30)28-19-21(17-18-24(28)29)20-31-33(27(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-18,21H,19-20H2,1-6H3
InChIKeyGZBJAUFTMSJKKX-UHFFFAOYSA-N
MW465.67 g/mol
LogP4.51
Rot. Bonds5

About tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate

tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate (PubChem CID 101218123) has the molecular formula C27H35NO4Si and a molecular weight of 465.67 g/mol. Its IUPAC name is tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate
PubChem CID101218123
Molecular FormulaC27H35NO4Si
Molecular Weight465.67 g/mol
Exact Mass465.23
IUPAC Nametert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CC1=O
InChIInChI=1S/C27H35NO4Si/c1-26(2,3)32-25(30)28-19-21(17-18-24(28)29)20-31-33(27(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-18,21H,19-20H2,1-6H3
InChIKeyGZBJAUFTMSJKKX-UHFFFAOYSA-N
XLogP4.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.67
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(S)-tert-butyl 2-((tert-butyldiphenylsilyloxy)methyl)-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 10906494
Tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate
CID 11270902
methyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 42612329
tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-(4-oxobutyl)carbamate
CID 57327215
tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate
CID 75233329
tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenebutyl]-N-prop-2-enylcarbamate
CID 135072708
tert-butyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11155185
tert-butyl N-but-3-enyl-N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate
CID 11155866
Tert-butyl 3-((tert-butyldiphenylsilyloxy)methyl)azetidine-1-carboxylate
CID 57504740
1,1-dimethylethyl (2S)-2-({[(1,1-dimethylethyl)(diphenyl)silyl]oxy}methyl)-3,6-dihydro-1(2H)-pyridinecarboxylate
CID 59363640
di-tert-Butyl [(2R)-4-{[tert-butyl(diphenyl)silyl]oxy}-2-methylbutyl]imidodicarbonate
CID 68242824
tert-butyl N-[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 68242837

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate (CID 101218123) is tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CC1=O.
What is the InChIKey of tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate?
The InChIKey is GZBJAUFTMSJKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NO4Si/c1-26(2,3)32-25(30)28-19-21(17-18-24(28)29)20-31-33(27(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-18,21H,19-20H2,1-6H3.
What are the key properties of tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate?
tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate has a molecular weight of 465.67 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 101218123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).