tert-butyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate

C22H45NO5Si2 — CID 150624382

IUPACtert-butyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H45NO5Si2/c1-20(2,3)27-19(25)23-16(15-26-29(10,11)21(4,5)6)14-17(18(23)24)28-30(12,13)22(7,8)9/h16-17H,14-15H2,1-13H3/t16-,17+/m0/s1
InChIKeyIWOQSAZUTOLOPW-DLBZAZTESA-N
MW459.78 g/mol
LogP5.93
Rot. Bonds5

About tert-butyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate

tert-butyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate (PubChem CID 150624382) has the molecular formula C22H45NO5Si2 and a molecular weight of 459.78 g/mol. Its IUPAC name is tert-butyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate
PubChem CID150624382
Molecular FormulaC22H45NO5Si2
Molecular Weight459.78 g/mol
Exact Mass459.28
IUPAC Nametert-butyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H45NO5Si2/c1-20(2,3)27-19(25)23-16(15-26-29(10,11)21(4,5)6)14-17(18(23)24)28-30(12,13)22(7,8)9/h16-17H,14-15H2,1-13H3/t16-,17+/m0/s1
InChIKeyIWOQSAZUTOLOPW-DLBZAZTESA-N
XLogP5.93
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.78
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate (CID 150624382) is tert-butyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate?
The InChIKey is IWOQSAZUTOLOPW-DLBZAZTESA-N. The full InChI is InChI=1S/C22H45NO5Si2/c1-20(2,3)27-19(25)23-16(15-26-29(10,11)21(4,5)6)14-17(18(23)24)28-30(12,13)22(7,8)9/h16-17H,14-15H2,1-13H3/t16-,17+/m0/s1.
What are the key properties of tert-butyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate?
tert-butyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate has a molecular weight of 459.78 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 150624382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).