tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propan-2-yloxypyrrolidine-1-carboxylate

C29H43NO4Si — CID 163225699

IUPACtert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propan-2-yloxypyrrolidine-1-carboxylate
SMILESCC(C)OC1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C29H43NO4Si/c1-22(2)33-24-19-23(30(20-24)27(31)34-28(3,4)5)21-32-35(29(6,7)8,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18,22-24H,19-21H2,1-8H3/t23-,24?/m0/s1
InChIKeyARQQRUJUYKUISU-UXMRNZNESA-N
MW497.75 g/mol
LogP5.37
Rot. Bonds7

About tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propan-2-yloxypyrrolidine-1-carboxylate

tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propan-2-yloxypyrrolidine-1-carboxylate (PubChem CID 163225699) has the molecular formula C29H43NO4Si and a molecular weight of 497.75 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propan-2-yloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propan-2-yloxypyrrolidine-1-carboxylate
PubChem CID163225699
Molecular FormulaC29H43NO4Si
Molecular Weight497.75 g/mol
Exact Mass497.30
IUPAC Nametert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propan-2-yloxypyrrolidine-1-carboxylate
SMILESCC(C)OC1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C29H43NO4Si/c1-22(2)33-24-19-23(30(20-24)27(31)34-28(3,4)5)21-32-35(29(6,7)8,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18,22-24H,19-21H2,1-8H3/t23-,24?/m0/s1
InChIKeyARQQRUJUYKUISU-UXMRNZNESA-N
XLogP5.37
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.75
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propan-2-yloxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propan-2-yloxypyrrolidine-1-carboxylate (CID 163225699) is tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propan-2-yloxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propan-2-yloxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propan-2-yloxypyrrolidine-1-carboxylate is CC(C)OC1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propan-2-yloxypyrrolidine-1-carboxylate?
The InChIKey is ARQQRUJUYKUISU-UXMRNZNESA-N. The full InChI is InChI=1S/C29H43NO4Si/c1-22(2)33-24-19-23(30(20-24)27(31)34-28(3,4)5)21-32-35(29(6,7)8,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18,22-24H,19-21H2,1-8H3/t23-,24?/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propan-2-yloxypyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propan-2-yloxypyrrolidine-1-carboxylate has a molecular weight of 497.75 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propan-2-yloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 163225699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).