2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone

C19H25NO2Si — CID 10758614

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone
SMILESCC(C)(C)[Si](C)(C)OC(C(=O)c1ccccc1)c1ccncc1
InChIInChI=1S/C19H25NO2Si/c1-19(2,3)23(4,5)22-18(16-11-13-20-14-12-16)17(21)15-9-7-6-8-10-15/h6-14,18H,1-5H3
InChIKeyWWHJKRVRYOHNPF-UHFFFAOYSA-N
MW327.50 g/mol
LogP5.03
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone

2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone (PubChem CID 10758614) has the molecular formula C19H25NO2Si and a molecular weight of 327.50 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone
PubChem CID10758614
Molecular FormulaC19H25NO2Si
Molecular Weight327.50 g/mol
Exact Mass327.17
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone
SMILESCC(C)(C)[Si](C)(C)OC(C(=O)c1ccccc1)c1ccncc1
InChIInChI=1S/C19H25NO2Si/c1-19(2,3)23(4,5)22-18(16-11-13-20-14-12-16)17(21)15-9-7-6-8-10-15/h6-14,18H,1-5H3
InChIKeyWWHJKRVRYOHNPF-UHFFFAOYSA-N
XLogP5.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.50
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one
CID 102483532
1-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-phenylsulfanylpropan-2-one
CID 138977697
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxo-5-phenylpent-2-enal
CID 135026287
2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid
CID 70132721
2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide
CID 12968566
tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;1-(4-fluorophenyl)-2-hydroxy-2-pyridin-4-ylethanone
CID 68881555
methyl 3-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-2-oxobut-3-enoate
CID 45142046
(Z)-2-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-1,5-diphenylpent-2-en-4-yn-1-one
CID 53330755
(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-(2-phenylethyl)pent-4-en-1-one
CID 134979384
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989
tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate
CID 175783177
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dichloro-2-methyl-1-phenylpentan-3-one
CID 15444578

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone (CID 10758614) is 2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone is CC(C)(C)[Si](C)(C)OC(C(=O)c1ccccc1)c1ccncc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone?
The InChIKey is WWHJKRVRYOHNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2Si/c1-19(2,3)23(4,5)22-18(16-11-13-20-14-12-16)17(21)15-9-7-6-8-10-15/h6-14,18H,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone?
2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone has a molecular weight of 327.50 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone is sourced from PubChem (CID 10758614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).