tert-butyl-[[(2R)-5-methoxy-3,4-dihydro-2H-pyrrol-2-yl]methoxy]-diphenylsilane

C22H29NO2Si — CID 11824748

IUPACtert-butyl-[[(2R)-5-methoxy-3,4-dihydro-2H-pyrrol-2-yl]methoxy]-diphenylsilane
SMILESCOC1=N[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C22H29NO2Si/c1-22(2,3)26(19-11-7-5-8-12-19,20-13-9-6-10-14-20)25-17-18-15-16-21(23-18)24-4/h5-14,18H,15-17H2,1-4H3/t18-/m1/s1
InChIKeyQIRHXDUXQXOLPB-GOSISDBHSA-N
MW367.57 g/mol
LogP3.77
Rot. Bonds5

About tert-butyl-[[(2R)-5-methoxy-3,4-dihydro-2H-pyrrol-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2R)-5-methoxy-3,4-dihydro-2H-pyrrol-2-yl]methoxy]-diphenylsilane (PubChem CID 11824748) has the molecular formula C22H29NO2Si and a molecular weight of 367.57 g/mol. Its IUPAC name is tert-butyl-[[(2R)-5-methoxy-3,4-dihydro-2H-pyrrol-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R)-5-methoxy-3,4-dihydro-2H-pyrrol-2-yl]methoxy]-diphenylsilane
PubChem CID11824748
Molecular FormulaC22H29NO2Si
Molecular Weight367.57 g/mol
Exact Mass367.20
IUPAC Nametert-butyl-[[(2R)-5-methoxy-3,4-dihydro-2H-pyrrol-2-yl]methoxy]-diphenylsilane
SMILESCOC1=N[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C22H29NO2Si/c1-22(2,3)26(19-11-7-5-8-12-19,20-13-9-6-10-14-20)25-17-18-15-16-21(23-18)24-4/h5-14,18H,15-17H2,1-4H3/t18-/m1/s1
InChIKeyQIRHXDUXQXOLPB-GOSISDBHSA-N
XLogP3.77
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.57
LogP ≤ 53.77
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-[(2,6-dimethoxycyclohexa-2,5-dien-1-yl)methoxy]-diphenylsilane
CID 603410
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
3-[4-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-yl]butyl]pentane-2,4-dione
CID 11179373
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane
CID 175936274
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
tert-butyl-[[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethoxycyclobutyl]methoxy]-diphenylsilane
CID 158489976
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
[(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane
CID 171429782

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R)-5-methoxy-3,4-dihydro-2H-pyrrol-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2R)-5-methoxy-3,4-dihydro-2H-pyrrol-2-yl]methoxy]-diphenylsilane (CID 11824748) is tert-butyl-[[(2R)-5-methoxy-3,4-dihydro-2H-pyrrol-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2R)-5-methoxy-3,4-dihydro-2H-pyrrol-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2R)-5-methoxy-3,4-dihydro-2H-pyrrol-2-yl]methoxy]-diphenylsilane is COC1=N[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[[(2R)-5-methoxy-3,4-dihydro-2H-pyrrol-2-yl]methoxy]-diphenylsilane?
The InChIKey is QIRHXDUXQXOLPB-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29NO2Si/c1-22(2,3)26(19-11-7-5-8-12-19,20-13-9-6-10-14-20)25-17-18-15-16-21(23-18)24-4/h5-14,18H,15-17H2,1-4H3/t18-/m1/s1.
What are the key properties of tert-butyl-[[(2R)-5-methoxy-3,4-dihydro-2H-pyrrol-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2R)-5-methoxy-3,4-dihydro-2H-pyrrol-2-yl]methoxy]-diphenylsilane has a molecular weight of 367.57 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R)-5-methoxy-3,4-dihydro-2H-pyrrol-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 11824748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).