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

C18H31NO2Si — CID 11099295

IUPAC[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CO)N(Cc2ccccc2)C1
InChIInChI=1S/C18H31NO2Si/c1-18(2,3)22(4,5)21-17-11-16(14-20)19(13-17)12-15-9-7-6-8-10-15/h6-10,16-17,20H,11-14H2,1-5H3/t16-,17+/m0/s1
InChIKeyNMJXKPOVBRWNHU-DLBZAZTESA-N
MW321.54 g/mol
LogP3.64
Rot. Bonds5

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

[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol (PubChem CID 11099295) has the molecular formula C18H31NO2Si and a molecular weight of 321.54 g/mol. Its IUPAC name is [(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol
PubChem CID11099295
Molecular FormulaC18H31NO2Si
Molecular Weight321.54 g/mol
Exact Mass321.21
IUPAC Name[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CO)N(Cc2ccccc2)C1
InChIInChI=1S/C18H31NO2Si/c1-18(2,3)22(4,5)21-17-11-16(14-20)19(13-17)12-15-9-7-6-8-10-15/h6-10,16-17,20H,11-14H2,1-5H3/t16-,17+/m0/s1
InChIKeyNMJXKPOVBRWNHU-DLBZAZTESA-N
XLogP3.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol (CID 11099295) is [(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CO)N(Cc2ccccc2)C1.
What is the InChIKey of [(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol?
The InChIKey is NMJXKPOVBRWNHU-DLBZAZTESA-N. The full InChI is InChI=1S/C18H31NO2Si/c1-18(2,3)22(4,5)21-17-11-16(14-20)19(13-17)12-15-9-7-6-8-10-15/h6-10,16-17,20H,11-14H2,1-5H3/t16-,17+/m0/s1.
What are the key properties of [(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol?
[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol has a molecular weight of 321.54 g/mol, XLogP of 3.64, 5 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(dimethyl)silyl]oxypyrrolidin-2-yl]methanol is sourced from PubChem (CID 11099295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).