(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,3,4-trimethylpyrrolidin-2-one

C21H37NO2Si2 — CID 102184864

IUPAC(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,3,4-trimethylpyrrolidin-2-one
SMILESCC1(C)C(=O)N[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H37NO2Si2/c1-19(2,3)26(9,10)24-18-21(6,20(4,5)17(23)22-18)25(7,8)16-14-12-11-13-15-16/h11-15,18H,1-10H3,(H,22,23)/t18-,21-/m1/s1
InChIKeyOFYWDOSCWDNWMZ-WIYYLYMNSA-N
MW391.70 g/mol
LogP4.87
Rot. Bonds4

About (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,3,4-trimethylpyrrolidin-2-one

(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,3,4-trimethylpyrrolidin-2-one (PubChem CID 102184864) has the molecular formula C21H37NO2Si2 and a molecular weight of 391.70 g/mol. Its IUPAC name is (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,3,4-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,3,4-trimethylpyrrolidin-2-one
PubChem CID102184864
Molecular FormulaC21H37NO2Si2
Molecular Weight391.70 g/mol
Exact Mass391.24
IUPAC Name(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,3,4-trimethylpyrrolidin-2-one
SMILESCC1(C)C(=O)N[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H37NO2Si2/c1-19(2,3)26(9,10)24-18-21(6,20(4,5)17(23)22-18)25(7,8)16-14-12-11-13-15-16/h11-15,18H,1-10H3,(H,22,23)/t18-,21-/m1/s1
InChIKeyOFYWDOSCWDNWMZ-WIYYLYMNSA-N
XLogP4.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.70
LogP ≤ 54.87
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

(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,4-dimethylpyrrolidin-2-one
CID 102184859
(4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 141420640
4-[[Tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 164561737
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
(3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethyl-4-[phenyl-di(propan-2-yl)silyl]pyrrolidin-2-one
CID 44255072
(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]pyrrolidin-2-one
CID 44255242
5-[Tert-butyl(diphenyl)silyl]oxypyrrolidin-2-one
CID 102114828
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]pyrrolidin-2-one
CID 102184860
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-4-methylpyrrolidin-2-one
CID 102184861
(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one
CID 102184862

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,3,4-trimethylpyrrolidin-2-one?
The IUPAC name of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,3,4-trimethylpyrrolidin-2-one (CID 102184864) is (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,3,4-trimethylpyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,3,4-trimethylpyrrolidin-2-one?
The canonical SMILES for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,3,4-trimethylpyrrolidin-2-one is CC1(C)C(=O)N[C@H](O[Si](C)(C)C(C)(C)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]-3,3,4-trimethylpyrrolidin-2-one?
The InChIKey is OFYWDOSCWDNWMZ-WIYYLYMNSA-N. The full InChI is InChI=1S/C21H37NO2Si2/c1-19(2,3)26(9,10)24-18-21(6,20(4,5)17(23)22-18)25(7,8)16-14-12-11-13-15-16/h11-15,18H,1-10H3,(H,22,23)/t18-,21-/m1/s1.
What are the key properties of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,3,4-trimethylpyrrolidin-2-one?
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,3,4-trimethylpyrrolidin-2-one has a molecular weight of 391.70 g/mol, XLogP of 4.87, 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]-3,3,4-trimethylpyrrolidin-2-one is sourced from PubChem (CID 102184864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).