tert-butyl 2-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,3-dihydropyrrole-1-carboxylate

C26H35NO3Si — CID 173493419

IUPACtert-butyl 2-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,3-dihydropyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CCC1C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H35NO3Si/c1-25(2,3)23(22-18-13-19-27(22)24(28)29-26(4,5)6)30-31(20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-17,19,22-23,31H,18H2,1-6H3
InChIKeyWINPZZKIMXWEEY-UHFFFAOYSA-N
MW437.66 g/mol
LogP4.48
Rot. Bonds5

About tert-butyl 2-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,3-dihydropyrrole-1-carboxylate

tert-butyl 2-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,3-dihydropyrrole-1-carboxylate (PubChem CID 173493419) has the molecular formula C26H35NO3Si and a molecular weight of 437.66 g/mol. Its IUPAC name is tert-butyl 2-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,3-dihydropyrrole-1-carboxylate
PubChem CID173493419
Molecular FormulaC26H35NO3Si
Molecular Weight437.66 g/mol
Exact Mass437.24
IUPAC Nametert-butyl 2-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,3-dihydropyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CCC1C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H35NO3Si/c1-25(2,3)23(22-18-13-19-27(22)24(28)29-26(4,5)6)30-31(20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-17,19,22-23,31H,18H2,1-6H3
InChIKeyWINPZZKIMXWEEY-UHFFFAOYSA-N
XLogP4.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.66
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-acetyl-2,3-dihydropyrrole-1-carboxylate
CID 118329389
tert-butyl (2S)-2-acetyl-2,3-dihydropyrrole-1-carboxylate
CID 171048922
[2,2-dimethyl-1-[(2R)-thiiran-2-yl]propoxy]-diphenylsilane
CID 154162263
tert-butyl 1,2-diamino-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexane-1-carboxylate
CID 173018657
ditert-butyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate
CID 11173242
ditert-butyl 2,3-dihydropyrrole-1,2-dicarboxylate
CID 76804679
tert-butyl 2-formyloxy-2,3-dihydropyrrole-1-carboxylate
CID 174840532
tert-butyl (2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 134842895
2-O-benzyl 1-O-tert-butyl 3,4-dihydro-2H-pyridine-1,2-dicarboxylate
CID 141152597
tert-butyl (2S,4S)-4-acetyloxy-2-tert-butyl-2-(diphenylsilyloxymethyl)pyrrolidine-1-carboxylate
CID 173161734
tert-butyl 2-(phenoxymethyl)azetidine-1-carboxylate
CID 57454928
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,3-dihydropyrrole-1-carboxylate (CID 173493419) is tert-butyl 2-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,3-dihydropyrrole-1-carboxylate is CC(C)(C)OC(=O)N1C=CCC1C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl 2-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,3-dihydropyrrole-1-carboxylate?
The InChIKey is WINPZZKIMXWEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO3Si/c1-25(2,3)23(22-18-13-19-27(22)24(28)29-26(4,5)6)30-31(20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-17,19,22-23,31H,18H2,1-6H3.
What are the key properties of tert-butyl 2-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,3-dihydropyrrole-1-carboxylate?
tert-butyl 2-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,3-dihydropyrrole-1-carboxylate has a molecular weight of 437.66 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 173493419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).