(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-4-methylpyrrolidin-2-one

C19H33NO2Si2 — CID 102184861

IUPAC(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-4-methylpyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1NC(=O)C[C@]1(C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H33NO2Si2/c1-18(2,3)24(7,8)22-17-19(4,14-16(21)20-17)23(5,6)15-12-10-9-11-13-15/h9-13,17H,14H2,1-8H3,(H,20,21)/t17-,19+/m1/s1
InChIKeyYLZZOODELDCMFI-MJGOQNOKSA-N
MW363.65 g/mol
LogP4.23
Rot. Bonds4

About (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-4-methylpyrrolidin-2-one

(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-4-methylpyrrolidin-2-one (PubChem CID 102184861) has the molecular formula C19H33NO2Si2 and a molecular weight of 363.65 g/mol. Its IUPAC name is (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-4-methylpyrrolidin-2-one
PubChem CID102184861
Molecular FormulaC19H33NO2Si2
Molecular Weight363.65 g/mol
Exact Mass363.20
IUPAC Name(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-4-methylpyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1NC(=O)C[C@]1(C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H33NO2Si2/c1-18(2,3)24(7,8)22-17-19(4,14-16(21)20-17)23(5,6)15-12-10-9-11-13-15/h9-13,17H,14H2,1-8H3,(H,20,21)/t17-,19+/m1/s1
InChIKeyYLZZOODELDCMFI-MJGOQNOKSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.65
LogP ≤ 54.23
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

(5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one
CID 45103028
(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,4-dimethylpyrrolidin-2-one
CID 102184859
N-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propyl]-2-methylbutanamide
CID 20652817
(4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 141420640
(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpyrrolidin-2-one
CID 141489122
4-[2-[Tert-butyl(diphenyl)silyl]oxyethoxymethyl]pyrrolidin-2-one
CID 162384090
4-[[Tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 164561737
4-[[Tert-butyl(diphenyl)silyl]oxymethyl]-3-methylidenepyrrolidin-2-one
CID 164561891
3-[[Tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpyrrolidin-2-one
CID 176343261
(2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[dimethyl(phenyl)silyl]-3,4-dimethyl-5-oxopyrrolidine-1-sulfonyl chloride
CID 11511259
(3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,4-dimethylpyrrolidin-2-one
CID 11632258
4-[Tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-ylbutan-1-one
CID 12169292

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-4-methylpyrrolidin-2-one?
The IUPAC name of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-4-methylpyrrolidin-2-one (CID 102184861) is (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-4-methylpyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-4-methylpyrrolidin-2-one?
The canonical SMILES for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-4-methylpyrrolidin-2-one is CC(C)(C)[Si](C)(C)O[C@H]1NC(=O)C[C@]1(C)[Si](C)(C)c1ccccc1.
What is the InChIKey of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-4-methylpyrrolidin-2-one?
The InChIKey is YLZZOODELDCMFI-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H33NO2Si2/c1-18(2,3)24(7,8)22-17-19(4,14-16(21)20-17)23(5,6)15-12-10-9-11-13-15/h9-13,17H,14H2,1-8H3,(H,20,21)/t17-,19+/m1/s1.
What are the key properties of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-4-methylpyrrolidin-2-one?
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-4-methylpyrrolidin-2-one has a molecular weight of 363.65 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 102184861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).