tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(E,1R)-1-hydroxybut-2-enyl]-5-oxopyrrolidine-1-carboxylate

C28H47NO5Si2 — CID 10506462

IUPACtert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(E,1R)-1-hydroxybut-2-enyl]-5-oxopyrrolidine-1-carboxylate
SMILESC/C=C/[C@@H](O)[C@@H]1C(=O)N(C(=O)OC(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C28H47NO5Si2/c1-12-16-22(30)23-24(35(8,9)20-17-14-13-15-18-20)21(19-33-36(10,11)28(5,6)7)29(25(23)31)26(32)34-27(2,3)4/h12-18,21-24,30H,19H2,1-11H3/b16-12+/t21-,22-,23+,24-/m1/s1
InChIKeyBJFDUOZDLVJHCL-XFORHSQVSA-N
MW533.86 g/mol
LogP5.69
Rot. Bonds7

About tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(E,1R)-1-hydroxybut-2-enyl]-5-oxopyrrolidine-1-carboxylate

tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(E,1R)-1-hydroxybut-2-enyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 10506462) has the molecular formula C28H47NO5Si2 and a molecular weight of 533.86 g/mol. Its IUPAC name is tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(E,1R)-1-hydroxybut-2-enyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(E,1R)-1-hydroxybut-2-enyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID10506462
Molecular FormulaC28H47NO5Si2
Molecular Weight533.86 g/mol
Exact Mass533.30
IUPAC Nametert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(E,1R)-1-hydroxybut-2-enyl]-5-oxopyrrolidine-1-carboxylate
SMILESC/C=C/[C@@H](O)[C@@H]1C(=O)N(C(=O)OC(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C28H47NO5Si2/c1-12-16-22(30)23-24(35(8,9)20-17-14-13-15-18-20)21(19-33-36(10,11)28(5,6)7)29(25(23)31)26(32)34-27(2,3)4/h12-18,21-24,30H,19H2,1-11H3/b16-12+/t21-,22-,23+,24-/m1/s1
InChIKeyBJFDUOZDLVJHCL-XFORHSQVSA-N
XLogP5.69
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.86
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-benzyl-3-[(2R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11112627
(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 10495893
(4R)-4-benzyl-3-[(2R,3S,4R,5R)-3-hydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one
CID 10962013
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate
CID 12111281
(4R)-4-benzyl-3-[(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one
CID 134972885
(4R)-3-[(2R,3S,4E)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-9-methyl-2-(3-methylbut-3-enyl)deca-4,8-dienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 122226266
1-Benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(1-hydroxyethyl)pyrrolidin-2-one
CID 19900152
3-(1-Oxo-2-(R)-methyl-3-(R)-hydroxy-4-(S)-methyl-5-t-butyldimethylsiloxypentyl)-4-(R)-(phenylmethyl)-2-oxazolidinone
CID 53829208
tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
CID 58011500
tert-butyl (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
CID 58330064
(4S)-3-[(Z,2R,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxy-5-phenylpent-4-enoyl]-4-(phosphanylmethyl)-1,3-oxazolidin-2-one
CID 59042147
(4S)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
CID 67148562

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(E,1R)-1-hydroxybut-2-enyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(E,1R)-1-hydroxybut-2-enyl]-5-oxopyrrolidine-1-carboxylate (CID 10506462) is tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(E,1R)-1-hydroxybut-2-enyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(E,1R)-1-hydroxybut-2-enyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(E,1R)-1-hydroxybut-2-enyl]-5-oxopyrrolidine-1-carboxylate is C/C=C/[C@@H](O)[C@@H]1C(=O)N(C(=O)OC(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(E,1R)-1-hydroxybut-2-enyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is BJFDUOZDLVJHCL-XFORHSQVSA-N. The full InChI is InChI=1S/C28H47NO5Si2/c1-12-16-22(30)23-24(35(8,9)20-17-14-13-15-18-20)21(19-33-36(10,11)28(5,6)7)29(25(23)31)26(32)34-27(2,3)4/h12-18,21-24,30H,19H2,1-11H3/b16-12+/t21-,22-,23+,24-/m1/s1.
What are the key properties of tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(E,1R)-1-hydroxybut-2-enyl]-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(E,1R)-1-hydroxybut-2-enyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 533.86 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(E,1R)-1-hydroxybut-2-enyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 10506462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).