tert-butyl-dimethyl-[[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy]silane

C17H27NOSi — CID 135017340

IUPACtert-butyl-dimethyl-[[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC(c2ccccc2)=N1
InChIInChI=1S/C17H27NOSi/c1-17(2,3)20(4,5)19-13-15-11-12-16(18-15)14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3/t15-/m0/s1
InChIKeyMQUJJRNRXHVBIN-HNNXBMFYSA-N
MW289.49 g/mol
LogP4.66
Rot. Bonds4

About tert-butyl-dimethyl-[[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy]silane (PubChem CID 135017340) has the molecular formula C17H27NOSi and a molecular weight of 289.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy]silane
PubChem CID135017340
Molecular FormulaC17H27NOSi
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC Nametert-butyl-dimethyl-[[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC(c2ccccc2)=N1
InChIInChI=1S/C17H27NOSi/c1-17(2,3)20(4,5)19-13-15-11-12-16(18-15)14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3/t15-/m0/s1
InChIKeyMQUJJRNRXHVBIN-HNNXBMFYSA-N
XLogP4.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Propanamine, N-(1-phenylethylidene)-3-(triethoxysilyl)-
CID 105549
N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-fluorophenyl)ethanimine
CID 58531187
(R)-3-(tert-butyldimethylsilyloxy)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 66847764
tert-butyl-[[5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane
CID 66847765
tert-butyl-[[5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]oxy]-dimethylsilane
CID 68606885
2,2-dimethylpropyl-[[(3R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane
CID 141292480
tert-butyl-[2-[(2R)-5-(2-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane
CID 142588414
tert-butyl-[2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane
CID 142588459
tert-butyl-[2-[(2R)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane
CID 142588559
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]pentan-3-imine
CID 12696666
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]nonan-5-imine
CID 12696670
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-phenylpropan-1-imine
CID 12696672

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy]silane (CID 135017340) is tert-butyl-dimethyl-[[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OC[C@@H]1CCC(c2ccccc2)=N1.
What is the InChIKey of tert-butyl-dimethyl-[[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy]silane?
The InChIKey is MQUJJRNRXHVBIN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27NOSi/c1-17(2,3)20(4,5)19-13-15-11-12-16(18-15)14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3/t15-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy]silane has a molecular weight of 289.49 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy]silane is sourced from PubChem (CID 135017340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).