tert-butyl-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]oxy-diphenylsilane

C27H43NO2Si2 — CID 10648023

IUPACtert-butyl-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]oxy-diphenylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1NCC[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H43NO2Si2/c1-26(2,3)31(7,8)29-21-24-25(19-20-28-24)30-32(27(4,5)6,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,24-25,28H,19-21H2,1-8H3/t24-,25-/m0/s1
InChIKeySEJMFYUJZNFKFX-DQEYMECFSA-N
MW469.82 g/mol
LogP5.32
Rot. Bonds7

About tert-butyl-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]oxy-diphenylsilane

tert-butyl-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]oxy-diphenylsilane (PubChem CID 10648023) has the molecular formula C27H43NO2Si2 and a molecular weight of 469.82 g/mol. Its IUPAC name is tert-butyl-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]oxy-diphenylsilane
PubChem CID10648023
Molecular FormulaC27H43NO2Si2
Molecular Weight469.82 g/mol
Exact Mass469.28
IUPAC Nametert-butyl-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]oxy-diphenylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1NCC[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H43NO2Si2/c1-26(2,3)31(7,8)29-21-24-25(19-20-28-24)30-32(27(4,5)6,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,24-25,28H,19-21H2,1-8H3/t24-,25-/m0/s1
InChIKeySEJMFYUJZNFKFX-DQEYMECFSA-N
XLogP5.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.82
LogP ≤ 55.32
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 tert-butyl-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]oxy-diphenylsilane (CID 10648023) is tert-butyl-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]oxy-diphenylsilane is CC(C)(C)[Si](C)(C)OC[C@@H]1NCC[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]oxy-diphenylsilane?
The InChIKey is SEJMFYUJZNFKFX-DQEYMECFSA-N. The full InChI is InChI=1S/C27H43NO2Si2/c1-26(2,3)31(7,8)29-21-24-25(19-20-28-24)30-32(27(4,5)6,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,24-25,28H,19-21H2,1-8H3/t24-,25-/m0/s1.
What are the key properties of tert-butyl-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]oxy-diphenylsilane?
tert-butyl-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]oxy-diphenylsilane has a molecular weight of 469.82 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]oxy-diphenylsilane is sourced from PubChem (CID 10648023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).