tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]pyrrolidine-1-carboxylate

C24H49NO5Si2 — CID 67885252

IUPACtert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H49NO5Si2/c1-22(2,3)28-21(27)25-17-19(29-31(10,11)23(4,5)6)16-18(25)14-15-20(26)30-32(12,13)24(7,8)9/h18-19H,14-17H2,1-13H3/t18-,19+/m0/s1
InChIKeyKWMLSTKUGFVOGC-RBUKOAKNSA-N
MW487.83 g/mol
LogP6.71
Rot. Bonds6

About tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]pyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]pyrrolidine-1-carboxylate (PubChem CID 67885252) has the molecular formula C24H49NO5Si2 and a molecular weight of 487.83 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]pyrrolidine-1-carboxylate
PubChem CID67885252
Molecular FormulaC24H49NO5Si2
Molecular Weight487.83 g/mol
Exact Mass487.31
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H49NO5Si2/c1-22(2,3)28-21(27)25-17-19(29-31(10,11)23(4,5)6)16-18(25)14-15-20(26)30-32(12,13)24(7,8)9/h18-19H,14-17H2,1-13H3/t18-,19+/m0/s1
InChIKeyKWMLSTKUGFVOGC-RBUKOAKNSA-N
XLogP6.71
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.83
LogP ≤ 56.71
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 (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]pyrrolidine-1-carboxylate (CID 67885252) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]pyrrolidine-1-carboxylate?
The InChIKey is KWMLSTKUGFVOGC-RBUKOAKNSA-N. The full InChI is InChI=1S/C24H49NO5Si2/c1-22(2,3)28-21(27)25-17-19(29-31(10,11)23(4,5)6)16-18(25)14-15-20(26)30-32(12,13)24(7,8)9/h18-19H,14-17H2,1-13H3/t18-,19+/m0/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]pyrrolidine-1-carboxylate has a molecular weight of 487.83 g/mol, XLogP of 6.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 67885252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).