1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidin-2-one

C28H33NO3Si — CID 11733221

IUPAC1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidin-2-one
SMILESCC(C)(C)[Si](OCC1(O)CCC(=O)N1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO3Si/c1-27(2,3)33(24-15-9-5-10-16-24,25-17-11-6-12-18-25)32-22-28(31)20-19-26(30)29(28)21-23-13-7-4-8-14-23/h4-18,31H,19-22H2,1-3H3
InChIKeyPJGVDPZHASIRFZ-UHFFFAOYSA-N
MW459.66 g/mol
LogP4.07
Rot. Bonds7

About 1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidin-2-one

1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidin-2-one (PubChem CID 11733221) has the molecular formula C28H33NO3Si and a molecular weight of 459.66 g/mol. Its IUPAC name is 1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidin-2-one
PubChem CID11733221
Molecular FormulaC28H33NO3Si
Molecular Weight459.66 g/mol
Exact Mass459.22
IUPAC Name1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidin-2-one
SMILESCC(C)(C)[Si](OCC1(O)CCC(=O)N1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO3Si/c1-27(2,3)33(24-15-9-5-10-16-24,25-17-11-6-12-18-25)32-22-28(31)20-19-26(30)29(28)21-23-13-7-4-8-14-23/h4-18,31H,19-22H2,1-3H3
InChIKeyPJGVDPZHASIRFZ-UHFFFAOYSA-N
XLogP4.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.66
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one
CID 135039839
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 11014406
benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate
CID 68527039
1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde
CID 58018780
1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol
CID 159943416
(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dichloromethyl)oxolan-2-one
CID 11362619
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
benzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate
CID 58777440
tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane
CID 140876888
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
1-benzyl-2-methyl-5-oxopyrrolidine-2-carbonitrile
CID 117066612
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methylcyclohex-2-en-1-one
CID 140892968

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidin-2-one (CID 11733221) is 1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidin-2-one is CC(C)(C)[Si](OCC1(O)CCC(=O)N1Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidin-2-one?
The InChIKey is PJGVDPZHASIRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO3Si/c1-27(2,3)33(24-15-9-5-10-16-24,25-17-11-6-12-18-25)32-22-28(31)20-19-26(30)29(28)21-23-13-7-4-8-14-23/h4-18,31H,19-22H2,1-3H3.
What are the key properties of 1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidin-2-one?
1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidin-2-one has a molecular weight of 459.66 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidin-2-one is sourced from PubChem (CID 11733221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).