[(2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol

C28H35NO2Si — CID 16680156

IUPAC[(2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
SMILESCC(C)(C)[Si](O[C@@H]1C[C@@H](CO)N(Cc2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35NO2Si/c1-28(2,3)32(26-15-9-5-10-16-26,27-17-11-6-12-18-27)31-25-19-24(22-30)29(21-25)20-23-13-7-4-8-14-23/h4-18,24-25,30H,19-22H2,1-3H3/t24-,25+/m0/s1
InChIKeyFUFNCRSHGPGRNV-LOSJGSFVSA-N
MW445.68 g/mol
LogP4.20
Rot. Bonds7

About [(2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol

[(2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol (PubChem CID 16680156) has the molecular formula C28H35NO2Si and a molecular weight of 445.68 g/mol. Its IUPAC name is [(2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
PubChem CID16680156
Molecular FormulaC28H35NO2Si
Molecular Weight445.68 g/mol
Exact Mass445.24
IUPAC Name[(2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
SMILESCC(C)(C)[Si](O[C@@H]1C[C@@H](CO)N(Cc2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35NO2Si/c1-28(2,3)32(26-15-9-5-10-16-26,27-17-11-6-12-18-27)31-25-19-24(22-30)29(21-25)20-23-13-7-4-8-14-23/h4-18,24-25,30H,19-22H2,1-3H3/t24-,25+/m0/s1
InChIKeyFUFNCRSHGPGRNV-LOSJGSFVSA-N
XLogP4.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.68
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol (CID 16680156) is [(2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol is CC(C)(C)[Si](O[C@@H]1C[C@@H](CO)N(Cc2ccccc2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol?
The InChIKey is FUFNCRSHGPGRNV-LOSJGSFVSA-N. The full InChI is InChI=1S/C28H35NO2Si/c1-28(2,3)32(26-15-9-5-10-16-26,27-17-11-6-12-18-27)31-25-19-24(22-30)29(21-25)20-23-13-7-4-8-14-23/h4-18,24-25,30H,19-22H2,1-3H3/t24-,25+/m0/s1.
What are the key properties of [(2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol?
[(2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol has a molecular weight of 445.68 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol is sourced from PubChem (CID 16680156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).