tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;1-(4-fluorophenyl)-2-hydroxy-2-pyridin-4-ylethanone

C25H40FNO3Si2 — CID 68881555

IUPACtert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;1-(4-fluorophenyl)-2-hydroxy-2-pyridin-4-ylethanone
SMILESCC(C)(C)[Si](C)(C)O[Si](C)(C)C(C)(C)C.O=C(c1ccc(F)cc1)C(O)c1ccncc1
InChIInChI=1S/C13H10FNO2.C12H30OSi2/c14-11-3-1-9(2-4-11)12(16)13(17)10-5-7-15-8-6-10;1-11(2,3)14(7,8)13-15(9,10)12(4,5)6/h1-8,13,17H;1-10H3
InChIKeyLXOZYISRQQKMCV-UHFFFAOYSA-N
MW477.77 g/mol
LogP7.15
Rot. Bonds5

About tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;1-(4-fluorophenyl)-2-hydroxy-2-pyridin-4-ylethanone

tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;1-(4-fluorophenyl)-2-hydroxy-2-pyridin-4-ylethanone (PubChem CID 68881555) has the molecular formula C25H40FNO3Si2 and a molecular weight of 477.77 g/mol. Its IUPAC name is tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;1-(4-fluorophenyl)-2-hydroxy-2-pyridin-4-ylethanone.

Molecular Properties

Compound Nametert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;1-(4-fluorophenyl)-2-hydroxy-2-pyridin-4-ylethanone
PubChem CID68881555
Molecular FormulaC25H40FNO3Si2
Molecular Weight477.77 g/mol
Exact Mass477.25
IUPAC Nametert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;1-(4-fluorophenyl)-2-hydroxy-2-pyridin-4-ylethanone
SMILESCC(C)(C)[Si](C)(C)O[Si](C)(C)C(C)(C)C.O=C(c1ccc(F)cc1)C(O)c1ccncc1
InChIInChI=1S/C13H10FNO2.C12H30OSi2/c14-11-3-1-9(2-4-11)12(16)13(17)10-5-7-15-8-6-10;1-11(2,3)14(7,8)13-15(9,10)12(4,5)6/h1-8,13,17H;1-10H3
InChIKeyLXOZYISRQQKMCV-UHFFFAOYSA-N
XLogP7.15
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.77
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone
CID 10758614
1-(4-fluorophenyl)-2-pyridin-4-ylpentane-1,4-dione
CID 59932568
tert-butyl 3-(4-fluorophenyl)-2-methyl-3-oxopropanoate
CID 66337972
O-[1-(4-fluorophenyl)-2-oxo-2-pyridin-4-ylethyl] 4-methylbenzenecarbothioate
CID 54029238
1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
CID 75056323
tert-butyl 2-methyl-3-oxo-3-pyridin-4-ylpropanoate
CID 66338711
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid
CID 167729087
2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 13113175
1-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-hydroxyethanone
CID 54204893
2-tert-butylsulfinyl-1-(4-fluorophenyl)propan-1-one
CID 64638472
[(3S)-3-hydroxy-2,2-dimethyl-3-pyridin-4-ylpropyl] acetate
CID 132541644
tert-butyl 2-amino-3-hydroxy-3-pyridin-4-ylpropanoate
CID 165488428

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;1-(4-fluorophenyl)-2-hydroxy-2-pyridin-4-ylethanone?
The IUPAC name of tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;1-(4-fluorophenyl)-2-hydroxy-2-pyridin-4-ylethanone (CID 68881555) is tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;1-(4-fluorophenyl)-2-hydroxy-2-pyridin-4-ylethanone.
What is the SMILES notation for tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;1-(4-fluorophenyl)-2-hydroxy-2-pyridin-4-ylethanone?
The canonical SMILES for tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;1-(4-fluorophenyl)-2-hydroxy-2-pyridin-4-ylethanone is CC(C)(C)[Si](C)(C)O[Si](C)(C)C(C)(C)C.O=C(c1ccc(F)cc1)C(O)c1ccncc1.
What is the InChIKey of tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;1-(4-fluorophenyl)-2-hydroxy-2-pyridin-4-ylethanone?
The InChIKey is LXOZYISRQQKMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2.C12H30OSi2/c14-11-3-1-9(2-4-11)12(16)13(17)10-5-7-15-8-6-10;1-11(2,3)14(7,8)13-15(9,10)12(4,5)6/h1-8,13,17H;1-10H3.
What are the key properties of tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;1-(4-fluorophenyl)-2-hydroxy-2-pyridin-4-ylethanone?
tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;1-(4-fluorophenyl)-2-hydroxy-2-pyridin-4-ylethanone has a molecular weight of 477.77 g/mol, XLogP of 7.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;1-(4-fluorophenyl)-2-hydroxy-2-pyridin-4-ylethanone is sourced from PubChem (CID 68881555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).