2-[[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1,3-dipyridin-2-ylpropan-2-yl]iminomethyl]phenol

C32H47N3O3Si2 — CID 136704425

IUPAC2-[[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1,3-dipyridin-2-ylpropan-2-yl]iminomethyl]phenol
SMILESCC(C)(C)[Si](C)(C)O[C@H](c1ccccn1)C(/N=C/c1ccccc1O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccn1
InChIInChI=1S/C32H47N3O3Si2/c1-31(2,3)39(7,8)37-29(25-18-13-15-21-33-25)28(35-23-24-17-11-12-20-27(24)36)30(26-19-14-16-22-34-26)38-40(9,10)32(4,5)6/h11-23,28-30,36H,1-10H3/b35-23+/t29-,30-/m1/s1
InChIKeyKEWUTNYHYVZQIM-BLQSTINZSA-N
MW577.92 g/mol
LogP8.50
Rot. Bonds10

About 2-[[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1,3-dipyridin-2-ylpropan-2-yl]iminomethyl]phenol

2-[[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1,3-dipyridin-2-ylpropan-2-yl]iminomethyl]phenol (PubChem CID 136704425) has the molecular formula C32H47N3O3Si2 and a molecular weight of 577.92 g/mol. Its IUPAC name is 2-[[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1,3-dipyridin-2-ylpropan-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1,3-dipyridin-2-ylpropan-2-yl]iminomethyl]phenol
PubChem CID136704425
Molecular FormulaC32H47N3O3Si2
Molecular Weight577.92 g/mol
Exact Mass577.32
IUPAC Name2-[[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1,3-dipyridin-2-ylpropan-2-yl]iminomethyl]phenol
SMILESCC(C)(C)[Si](C)(C)O[C@H](c1ccccn1)C(/N=C/c1ccccc1O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccn1
InChIInChI=1S/C32H47N3O3Si2/c1-31(2,3)39(7,8)37-29(25-18-13-15-21-33-25)28(35-23-24-17-11-12-20-27(24)36)30(26-19-14-16-22-34-26)38-40(9,10)32(4,5)6/h11-23,28-30,36H,1-10H3/b35-23+/t29-,30-/m1/s1
InChIKeyKEWUTNYHYVZQIM-BLQSTINZSA-N
XLogP8.50
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.92
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1,3-dipyridin-2-ylpropan-2-yl]iminomethyl]phenol?
The IUPAC name of 2-[[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1,3-dipyridin-2-ylpropan-2-yl]iminomethyl]phenol (CID 136704425) is 2-[[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1,3-dipyridin-2-ylpropan-2-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1,3-dipyridin-2-ylpropan-2-yl]iminomethyl]phenol?
The canonical SMILES for 2-[[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1,3-dipyridin-2-ylpropan-2-yl]iminomethyl]phenol is CC(C)(C)[Si](C)(C)O[C@H](c1ccccn1)C(/N=C/c1ccccc1O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccn1.
What is the InChIKey of 2-[[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1,3-dipyridin-2-ylpropan-2-yl]iminomethyl]phenol?
The InChIKey is KEWUTNYHYVZQIM-BLQSTINZSA-N. The full InChI is InChI=1S/C32H47N3O3Si2/c1-31(2,3)39(7,8)37-29(25-18-13-15-21-33-25)28(35-23-24-17-11-12-20-27(24)36)30(26-19-14-16-22-34-26)38-40(9,10)32(4,5)6/h11-23,28-30,36H,1-10H3/b35-23+/t29-,30-/m1/s1.
What are the key properties of 2-[[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1,3-dipyridin-2-ylpropan-2-yl]iminomethyl]phenol?
2-[[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1,3-dipyridin-2-ylpropan-2-yl]iminomethyl]phenol has a molecular weight of 577.92 g/mol, XLogP of 8.50, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1,3-dipyridin-2-ylpropan-2-yl]iminomethyl]phenol is sourced from PubChem (CID 136704425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).