1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one

C19H23NO2Si — CID 88532056

IUPAC1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one
SMILESC[Si](C)(C)ON=C(CCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2Si/c1-23(2,3)22-20-18(16-10-6-4-7-11-16)14-15-19(21)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyKRGBUNDYYWCKCN-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.91
Rot. Bonds7

About 1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one

1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one (PubChem CID 88532056) has the molecular formula C19H23NO2Si and a molecular weight of 325.48 g/mol. Its IUPAC name is 1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one.

Molecular Properties

Compound Name1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one
PubChem CID88532056
Molecular FormulaC19H23NO2Si
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC Name1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one
SMILESC[Si](C)(C)ON=C(CCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2Si/c1-23(2,3)22-20-18(16-10-6-4-7-11-16)14-15-19(21)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyKRGBUNDYYWCKCN-UHFFFAOYSA-N
XLogP4.91
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine
CID 154048211
(4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one
CID 88532291
[(4-oxo-1,4-diphenylbutylidene)amino] benzenesulfonate
CID 123773464
(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine
CID 87328023
1-phenylbutan-1-one
CID 10315
1-phenylbutan-1-one;hydrobromide
CID 139638507
[(5-oxo-5-phenylpentan-2-ylidene)amino] acetate
CID 173378675
N'-trimethylsilyloxybenzenecarboximidamide
CID 71365359
5-[bis(trimethylsilyl)hydrazinylidene]-1,5-diphenylpentan-1-one
CID 140633116
[(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate
CID 87328863
methanethiol;1-phenylbutan-1-one
CID 143799522
molecular hydrogen;1-phenylbutan-1-one
CID 142208814

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one?
The IUPAC name of 1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one (CID 88532056) is 1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one.
What is the SMILES notation for 1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one?
The canonical SMILES for 1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one is C[Si](C)(C)ON=C(CCC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one?
The InChIKey is KRGBUNDYYWCKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2Si/c1-23(2,3)22-20-18(16-10-6-4-7-11-16)14-15-19(21)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3.
What are the key properties of 1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one?
1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one has a molecular weight of 325.48 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one is sourced from PubChem (CID 88532056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).