tert-butyl (3Z,5S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate

C35H53NO5Si2 — CID 23727352

IUPACtert-butyl (3Z,5S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)/C(=C\CCO[Si](C)(C)C(C)(C)C)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H53NO5Si2/c1-33(2,3)41-32(38)36-28(25-27(31(36)37)19-18-24-39-42(10,11)34(4,5)6)26-40-43(35(7,8)9,29-20-14-12-15-21-29)30-22-16-13-17-23-30/h12-17,19-23,28H,18,24-26H2,1-11H3/b27-19-/t28-/m0/s1
InChIKeyYXIWJAHPAPNDPE-PQPBAKKCSA-N
MW623.98 g/mol
LogP7.44
Rot. Bonds9

About tert-butyl (3Z,5S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate

tert-butyl (3Z,5S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate (PubChem CID 23727352) has the molecular formula C35H53NO5Si2 and a molecular weight of 623.98 g/mol. Its IUPAC name is tert-butyl (3Z,5S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3Z,5S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate
PubChem CID23727352
Molecular FormulaC35H53NO5Si2
Molecular Weight623.98 g/mol
Exact Mass623.35
IUPAC Nametert-butyl (3Z,5S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)/C(=C\CCO[Si](C)(C)C(C)(C)C)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H53NO5Si2/c1-33(2,3)41-32(38)36-28(25-27(31(36)37)19-18-24-39-42(10,11)34(4,5)6)26-40-43(35(7,8)9,29-20-14-12-15-21-29)30-22-16-13-17-23-30/h12-17,19-23,28H,18,24-26H2,1-11H3/b27-19-/t28-/m0/s1
InChIKeyYXIWJAHPAPNDPE-PQPBAKKCSA-N
XLogP7.44
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.98
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3Z,5S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3Z,5S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate (CID 23727352) is tert-butyl (3Z,5S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3Z,5S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3Z,5S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)/C(=C\CCO[Si](C)(C)C(C)(C)C)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (3Z,5S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate?
The InChIKey is YXIWJAHPAPNDPE-PQPBAKKCSA-N. The full InChI is InChI=1S/C35H53NO5Si2/c1-33(2,3)41-32(38)36-28(25-27(31(36)37)19-18-24-39-42(10,11)34(4,5)6)26-40-43(35(7,8)9,29-20-14-12-15-21-29)30-22-16-13-17-23-30/h12-17,19-23,28H,18,24-26H2,1-11H3/b27-19-/t28-/m0/s1.
What are the key properties of tert-butyl (3Z,5S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate?
tert-butyl (3Z,5S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate has a molecular weight of 623.98 g/mol, XLogP of 7.44, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3Z,5S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 23727352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).