[(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane

C23H43NO2Si2 — CID 15101628

IUPAC[(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CN(Cc2ccccc2)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H43NO2Si2/c1-22(2,3)27(7,8)25-20-17-24(16-19-14-12-11-13-15-19)18-21(20)26-28(9,10)23(4,5)6/h11-15,20-21H,16-18H2,1-10H3/t20-,21-/m0/s1
InChIKeyLLGNPRXNMNDZSO-SFTDATJTSA-N
MW421.77 g/mol
LogP6.28
Rot. Bonds6

About [(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane

[(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 15101628) has the molecular formula C23H43NO2Si2 and a molecular weight of 421.77 g/mol. Its IUPAC name is [(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID15101628
Molecular FormulaC23H43NO2Si2
Molecular Weight421.77 g/mol
Exact Mass421.28
IUPAC Name[(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CN(Cc2ccccc2)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H43NO2Si2/c1-22(2,3)27(7,8)25-20-17-24(16-19-14-12-11-13-15-19)18-21(20)26-28(9,10)23(4,5)6/h11-15,20-21H,16-18H2,1-10H3/t20-,21-/m0/s1
InChIKeyLLGNPRXNMNDZSO-SFTDATJTSA-N
XLogP6.28
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.77
LogP ≤ 56.28
H-Bond Donors ≤ 50
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 [(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane (CID 15101628) is [(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CN(Cc2ccccc2)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is LLGNPRXNMNDZSO-SFTDATJTSA-N. The full InChI is InChI=1S/C23H43NO2Si2/c1-22(2,3)27(7,8)25-20-17-24(16-19-14-12-11-13-15-19)18-21(20)26-28(9,10)23(4,5)6/h11-15,20-21H,16-18H2,1-10H3/t20-,21-/m0/s1.
What are the key properties of [(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane?
[(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 421.77 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 15101628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).