tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate

C27H37NO3Si — CID 11270902

IUPACtert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C27H37NO3Si/c1-26(2,3)31-25(29)28-19-17-22(21-28)18-20-30-32(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-17H,18-21H2,1-6H3
InChIKeyQEYOPJMCDCXNNQ-UHFFFAOYSA-N
MW451.68 g/mol
LogP5.13
Rot. Bonds6

About tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate

tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate (PubChem CID 11270902) has the molecular formula C27H37NO3Si and a molecular weight of 451.68 g/mol. Its IUPAC name is tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate
PubChem CID11270902
Molecular FormulaC27H37NO3Si
Molecular Weight451.68 g/mol
Exact Mass451.25
IUPAC Nametert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C27H37NO3Si/c1-26(2,3)31-25(29)28-19-17-22(21-28)18-20-30-32(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-17H,18-21H2,1-6H3
InChIKeyQEYOPJMCDCXNNQ-UHFFFAOYSA-N
XLogP5.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.68
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10742825
tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10837991
(S)-tert-butyl 2-((tert-butyldiphenylsilyloxy)methyl)-2,3-dihydro-1H-pyrrole-1-carboxylate
CID 13008516
tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)butyl]carbamate
CID 153556066
[4-[Tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid
CID 174056730
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 11189879
methyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 42612329
Tert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate
CID 44604030
tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-ethoxypyrrolidine-1-carboxylate
CID 45103027
tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-(4-oxobutyl)carbamate
CID 57327215
Tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate
CID 75153095
tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate
CID 75233329

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate (CID 11270902) is tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate?
The InChIKey is QEYOPJMCDCXNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO3Si/c1-26(2,3)31-25(29)28-19-17-22(21-28)18-20-30-32(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-17H,18-21H2,1-6H3.
What are the key properties of tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate?
tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate has a molecular weight of 451.68 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 11270902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).