5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one

C21H27NO2Si — CID 58011546

IUPAC5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](OCC1CCC(=O)N1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2Si/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)24-16-17-14-15-20(23)22-17/h4-13,17H,14-16H2,1-3H3,(H,22,23)
InChIKeyGVPMKPSKHXFYOR-UHFFFAOYSA-N
MW353.54 g/mol
LogP2.84
Rot. Bonds5

About 5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one

5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one (PubChem CID 58011546) has the molecular formula C21H27NO2Si and a molecular weight of 353.54 g/mol. Its IUPAC name is 5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
PubChem CID58011546
Molecular FormulaC21H27NO2Si
Molecular Weight353.54 g/mol
Exact Mass353.18
IUPAC Name5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](OCC1CCC(=O)N1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2Si/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)24-16-17-14-15-20(23)22-17/h4-13,17H,14-16H2,1-3H3,(H,22,23)
InChIKeyGVPMKPSKHXFYOR-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
(5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one
CID 101261245
(5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one
CID 45103028
cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409596
trans-(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409597
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 90317821
(6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one
CID 134866999
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methanamine
CID 73101123
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
tert-butyl-[[(2R)-5-methoxy-3,4-dihydro-2H-pyrrol-2-yl]methoxy]-diphenylsilane
CID 11824748
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630

Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one (CID 58011546) is 5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one is CC(C)(C)[Si](OCC1CCC(=O)N1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one?
The InChIKey is GVPMKPSKHXFYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2Si/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)24-16-17-14-15-20(23)22-17/h4-13,17H,14-16H2,1-3H3,(H,22,23).
What are the key properties of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one?
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one has a molecular weight of 353.54 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 58011546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).