4-[tert-butyl(dimethyl)silyl]-4-phenylbutan-2-one

C16H26OSi — CID 552492

IUPAC4-[tert-butyl(dimethyl)silyl]-4-phenylbutan-2-one
SMILESCC(=O)CC(c1ccccc1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26OSi/c1-13(17)12-15(14-10-8-7-9-11-14)18(5,6)16(2,3)4/h7-11,15H,12H2,1-6H3
InChIKeyRJNGZTXTBRZUEG-UHFFFAOYSA-N
MW262.47 g/mol
LogP4.80
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]-4-phenylbutan-2-one

4-[tert-butyl(dimethyl)silyl]-4-phenylbutan-2-one (PubChem CID 552492) has the molecular formula C16H26OSi and a molecular weight of 262.47 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]-4-phenylbutan-2-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]-4-phenylbutan-2-one
PubChem CID552492
Molecular FormulaC16H26OSi
Molecular Weight262.47 g/mol
Exact Mass262.18
IUPAC Name4-[tert-butyl(dimethyl)silyl]-4-phenylbutan-2-one
SMILESCC(=O)CC(c1ccccc1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26OSi/c1-13(17)12-15(14-10-8-7-9-11-14)18(5,6)16(2,3)4/h7-11,15H,12H2,1-6H3
InChIKeyRJNGZTXTBRZUEG-UHFFFAOYSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
(4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 16757036
4-phenyl-4-phosphanylbutan-2-one
CID 175348302
(R)-[tert-butyl(dimethyl)silyl]-phenylmethanol
CID 101051972
(4S)-4-bromo-4-phenylbutan-2-one
CID 155045363
(4S,5S)-4-methyl-5-phenylhexan-2-one
CID 102392446
(4R)-5-fluoro-4-phenylpentan-2-one
CID 101477163
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-N-[(1S)-1-phenylethyl]hexanamide
CID 59712846
benzene;ethane;3-phenylpentan-2-one;bis(1,1,1-trifluoroethane)
CID 91500791
N-methyl-3-phenyl-3-trimethylsilylpropanamide
CID 16732522
(S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide
CID 11288614
(4S)-5,5,5-trifluoro-4-(3-phenylphenyl)pentan-2-one
CID 166443210

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]-4-phenylbutan-2-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]-4-phenylbutan-2-one (CID 552492) is 4-[tert-butyl(dimethyl)silyl]-4-phenylbutan-2-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]-4-phenylbutan-2-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]-4-phenylbutan-2-one is CC(=O)CC(c1ccccc1)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]-4-phenylbutan-2-one?
The InChIKey is RJNGZTXTBRZUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OSi/c1-13(17)12-15(14-10-8-7-9-11-14)18(5,6)16(2,3)4/h7-11,15H,12H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]-4-phenylbutan-2-one?
4-[tert-butyl(dimethyl)silyl]-4-phenylbutan-2-one has a molecular weight of 262.47 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]-4-phenylbutan-2-one is sourced from PubChem (CID 552492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).