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

C36H57NO6Si2 — CID 78320940

IUPACtert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@H](c2cc(CO[Si](C)(C)C(C)(C)C)cc(OCc3ccccc3)c2)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C36H57NO6Si2/c1-34(2,3)43-33(39)37-31(25-42-45(12,13)36(7,8)9)30(22-32(37)38)28-19-27(24-41-44(10,11)35(4,5)6)20-29(21-28)40-23-26-17-15-14-16-18-26/h14-21,30-31H,22-25H2,1-13H3/t30-,31-/m1/s1
InChIKeyZPUIKIAURCPAIG-FIRIVFDPSA-N
MW656.03 g/mol
LogP9.43
Rot. Bonds10

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

tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 78320940) has the molecular formula C36H57NO6Si2 and a molecular weight of 656.03 g/mol. Its IUPAC name is tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID78320940
Molecular FormulaC36H57NO6Si2
Molecular Weight656.03 g/mol
Exact Mass655.37
IUPAC Nametert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@H](c2cc(CO[Si](C)(C)C(C)(C)C)cc(OCc3ccccc3)c2)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C36H57NO6Si2/c1-34(2,3)43-33(39)37-31(25-42-45(12,13)36(7,8)9)30(22-32(37)38)28-19-27(24-41-44(10,11)35(4,5)6)20-29(21-28)40-23-26-17-15-14-16-18-26/h14-21,30-31H,22-25H2,1-13H3/t30-,31-/m1/s1
InChIKeyZPUIKIAURCPAIG-FIRIVFDPSA-N
XLogP9.43
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.03
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxylate
CID 10839455
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-4-(4-phenylmethoxyphenyl)-2H-pyrrole-1-carboxylate
CID 57160145
(2S,3R)-2-tert-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]pyrrolidine-1-carboxylic acid
CID 90345364
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-5-oxopyrrolidine-1-carboxylate
CID 90345080
2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxypyrrolidine-1-carboxylic acid
CID 123486303
tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-4-oxoazetidine-1-carboxylate
CID 11421732
tert-butyl (1S,2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 101491824
tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 53253789
tert-butyl 3-(3-phenylmethoxyphenyl)azetidine-1-carboxylate
CID 71463776
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(113C)methyl-5-oxo-2H-pyrrole-1-carboxylate
CID 10947872
tert-butyl (2S)-2-benzyl-4-oxoazetidine-1-carboxylate
CID 95898027
tert-butyl (1R,3S,7S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate
CID 71122367

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]-5-oxopyrrolidine-1-carboxylate (CID 78320940) is tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)C[C@H](c2cc(CO[Si](C)(C)C(C)(C)C)cc(OCc3ccccc3)c2)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is ZPUIKIAURCPAIG-FIRIVFDPSA-N. The full InChI is InChI=1S/C36H57NO6Si2/c1-34(2,3)43-33(39)37-31(25-42-45(12,13)36(7,8)9)30(22-32(37)38)28-19-27(24-41-44(10,11)35(4,5)6)20-29(21-28)40-23-26-17-15-14-16-18-26/h14-21,30-31H,22-25H2,1-13H3/t30-,31-/m1/s1.
What are the key properties of tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 656.03 g/mol, XLogP of 9.43, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 78320940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).