4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylpyrrolidin-2-one

C13H27NO2Si — CID 153401170

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylpyrrolidin-2-one
SMILESCN1CC(C)(CO[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C13H27NO2Si/c1-12(2,3)17(6,7)16-10-13(4)8-11(15)14(5)9-13/h8-10H2,1-7H3
InChIKeyCVJZDESRVKWLOL-UHFFFAOYSA-N
MW257.45 g/mol
LogP2.88
Rot. Bonds3

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylpyrrolidin-2-one

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylpyrrolidin-2-one (PubChem CID 153401170) has the molecular formula C13H27NO2Si and a molecular weight of 257.45 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylpyrrolidin-2-one
PubChem CID153401170
Molecular FormulaC13H27NO2Si
Molecular Weight257.45 g/mol
Exact Mass257.18
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylpyrrolidin-2-one
SMILESCN1CC(C)(CO[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C13H27NO2Si/c1-12(2,3)17(6,7)16-10-13(4)8-11(15)14(5)9-13/h8-10H2,1-7H3
InChIKeyCVJZDESRVKWLOL-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 52.88
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

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidin-2-one
CID 153401151
methyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-5-methylcyclohexene-1-carboxylate
CID 162372938
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-propan-2-ylcyclopent-2-en-1-one
CID 14136544
(4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxetan-2-one
CID 162507915
(3R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3,5-difluorophenyl)-3,4,6-trimethyl-1-prop-2-enylpiperazin-2-one
CID 66865364
3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one
CID 69203284
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 174039842
2-but-3-enyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1,3-dione
CID 101240480
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperazine-1-carboxylate
CID 178167079
(2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one
CID 11666836
(4R,5S)-4-[(E)-but-2-enyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dimethylcyclohex-2-en-1-one
CID 101260348
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
CID 58604092

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylpyrrolidin-2-one?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylpyrrolidin-2-one (CID 153401170) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylpyrrolidin-2-one?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylpyrrolidin-2-one is CN1CC(C)(CO[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylpyrrolidin-2-one?
The InChIKey is CVJZDESRVKWLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2Si/c1-12(2,3)17(6,7)16-10-13(4)8-11(15)14(5)9-13/h8-10H2,1-7H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylpyrrolidin-2-one?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylpyrrolidin-2-one has a molecular weight of 257.45 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 153401170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).