tert-butyl-[[(3R)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl]oxy]-diphenylsilane

C20H25NO2Si — CID 15427815

IUPACtert-butyl-[[(3R)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl]oxy]-diphenylsilane
SMILESCC(C)(C)[Si](O[C@@H]1CC=[N+]([O-])C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2Si/c1-20(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-17-14-15-21(22)16-17/h4-13,15,17H,14,16H2,1-3H3/t17-/m1/s1
InChIKeyTVUOQKIMHJTZCX-QGZVFWFLSA-N
MW339.51 g/mol
LogP2.92
Rot. Bonds4

About tert-butyl-[[(3R)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl]oxy]-diphenylsilane

tert-butyl-[[(3R)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl]oxy]-diphenylsilane (PubChem CID 15427815) has the molecular formula C20H25NO2Si and a molecular weight of 339.51 g/mol. Its IUPAC name is tert-butyl-[[(3R)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl]oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(3R)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl]oxy]-diphenylsilane
PubChem CID15427815
Molecular FormulaC20H25NO2Si
Molecular Weight339.51 g/mol
Exact Mass339.17
IUPAC Nametert-butyl-[[(3R)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl]oxy]-diphenylsilane
SMILESCC(C)(C)[Si](O[C@@H]1CC=[N+]([O-])C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2Si/c1-20(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-17-14-15-21(22)16-17/h4-13,15,17H,14,16H2,1-3H3/t17-/m1/s1
InChIKeyTVUOQKIMHJTZCX-QGZVFWFLSA-N
XLogP2.92
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze tert-butyl-[[(3R)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl]oxy]-diphenylsilane 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-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
4-[tert-butyl(diphenyl)silyl]oxy-2-methylcyclopentan-1-amine
CID 142751894
tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane
CID 102008296
tert-butyl-diphenyl-[(3R)-pyrrolidin-3-yl]oxysilane
CID 58393504
(4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one
CID 171692304
4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol
CID 159197453
(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine
CID 177070919
2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol
CID 11977280
1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone
CID 129323384

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(3R)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl]oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(3R)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl]oxy]-diphenylsilane (CID 15427815) is tert-butyl-[[(3R)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl]oxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(3R)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl]oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(3R)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl]oxy]-diphenylsilane is CC(C)(C)[Si](O[C@@H]1CC=[N+]([O-])C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(3R)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl]oxy]-diphenylsilane?
The InChIKey is TVUOQKIMHJTZCX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25NO2Si/c1-20(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-17-14-15-21(22)16-17/h4-13,15,17H,14,16H2,1-3H3/t17-/m1/s1.
What are the key properties of tert-butyl-[[(3R)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl]oxy]-diphenylsilane?
tert-butyl-[[(3R)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl]oxy]-diphenylsilane has a molecular weight of 339.51 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(3R)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl]oxy]-diphenylsilane is sourced from PubChem (CID 15427815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).