(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-trimethyl-5-propan-2-ylpyrrolidin-2-one

C17H35NO2Si — CID 54130190

IUPAC(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-trimethyl-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@]1(CO[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](C)C(=O)N1C
InChIInChI=1S/C17H35NO2Si/c1-12(2)17(11-20-21(9,10)16(5,6)7)14(4)13(3)15(19)18(17)8/h12-14H,11H2,1-10H3/t13-,14+,17-/m1/s1
InChIKeyNTUIXOSLNKGZCV-JKIFEVAISA-N
MW313.56 g/mol
LogP4.15
Rot. Bonds4

About (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-trimethyl-5-propan-2-ylpyrrolidin-2-one

(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-trimethyl-5-propan-2-ylpyrrolidin-2-one (PubChem CID 54130190) has the molecular formula C17H35NO2Si and a molecular weight of 313.56 g/mol. Its IUPAC name is (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-trimethyl-5-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-trimethyl-5-propan-2-ylpyrrolidin-2-one
PubChem CID54130190
Molecular FormulaC17H35NO2Si
Molecular Weight313.56 g/mol
Exact Mass313.24
IUPAC Name(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-trimethyl-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@]1(CO[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](C)C(=O)N1C
InChIInChI=1S/C17H35NO2Si/c1-12(2)17(11-20-21(9,10)16(5,6)7)14(4)13(3)15(19)18(17)8/h12-14H,11H2,1-10H3/t13-,14+,17-/m1/s1
InChIKeyNTUIXOSLNKGZCV-JKIFEVAISA-N
XLogP4.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.56
LogP ≤ 54.15
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]-1,4-dimethylpyrrolidin-2-one
CID 153401170
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylpyrrolidine-2,5-dione
CID 10981612
2,4-dimethyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 20748956
methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-methylidene-5-oxopyrrolidine-2-carboxylate
CID 11392848
1,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dichloro-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 172628559
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-propan-2-ylcyclopent-2-en-1-one
CID 14136544
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidin-2-one
CID 91297949
1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
tert-butyl (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate;tert-butyl (3S)-3-(hydroxymethyl)-4-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 160828848
methyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate
CID 174067211
(3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,5-dimethyloxan-2-one
CID 11737786
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidin-2-one
CID 153401151

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-trimethyl-5-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-trimethyl-5-propan-2-ylpyrrolidin-2-one (CID 54130190) is (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-trimethyl-5-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-trimethyl-5-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-trimethyl-5-propan-2-ylpyrrolidin-2-one is CC(C)[C@]1(CO[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](C)C(=O)N1C.
What is the InChIKey of (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-trimethyl-5-propan-2-ylpyrrolidin-2-one?
The InChIKey is NTUIXOSLNKGZCV-JKIFEVAISA-N. The full InChI is InChI=1S/C17H35NO2Si/c1-12(2)17(11-20-21(9,10)16(5,6)7)14(4)13(3)15(19)18(17)8/h12-14H,11H2,1-10H3/t13-,14+,17-/m1/s1.
What are the key properties of (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-trimethyl-5-propan-2-ylpyrrolidin-2-one?
(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-trimethyl-5-propan-2-ylpyrrolidin-2-one has a molecular weight of 313.56 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-trimethyl-5-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 54130190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).