tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate

C29H43NO4Si — CID 164521788

IUPACtert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1(CO)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H43NO4Si/c1-27(2,3)34-26(32)30-21-13-19-29(30,23-31)20-14-22-33-35(28(4,5)6,24-15-9-7-10-16-24)25-17-11-8-12-18-25/h7-12,15-18,31H,13-14,19-23H2,1-6H3
InChIKeyOSAHECNXHMEREZ-UHFFFAOYSA-N
MW497.75 g/mol
LogP5.11
Rot. Bonds8

About tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate

tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate (PubChem CID 164521788) has the molecular formula C29H43NO4Si and a molecular weight of 497.75 g/mol. Its IUPAC name is tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
PubChem CID164521788
Molecular FormulaC29H43NO4Si
Molecular Weight497.75 g/mol
Exact Mass497.30
IUPAC Nametert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1(CO)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H43NO4Si/c1-27(2,3)34-26(32)30-21-13-19-29(30,23-31)20-14-22-33-35(28(4,5)6,24-15-9-7-10-16-24)25-17-11-8-12-18-25/h7-12,15-18,31H,13-14,19-23H2,1-6H3
InChIKeyOSAHECNXHMEREZ-UHFFFAOYSA-N
XLogP5.11
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.75
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate (CID 164521788) is tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1(CO)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is OSAHECNXHMEREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43NO4Si/c1-27(2,3)34-26(32)30-21-13-19-29(30,23-31)20-14-22-33-35(28(4,5)6,24-15-9-7-10-16-24)25-17-11-8-12-18-25/h7-12,15-18,31H,13-14,19-23H2,1-6H3.
What are the key properties of tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 497.75 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 164521788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).