(E)-1,2-diphenyl-3-triethylsilyloxyprop-2-en-1-one

C21H26O2Si — CID 132579303

IUPAC(E)-1,2-diphenyl-3-triethylsilyloxyprop-2-en-1-one
SMILESCC[Si](CC)(CC)O/C=C(/C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26O2Si/c1-4-24(5-2,6-3)23-17-20(18-13-9-7-10-14-18)21(22)19-15-11-8-12-16-19/h7-17H,4-6H2,1-3H3/b20-17+
InChIKeyATBOCRWFPWMNDC-LVZFUZTISA-N
MW338.52 g/mol
LogP5.93
Rot. Bonds8

About (E)-1,2-diphenyl-3-triethylsilyloxyprop-2-en-1-one

(E)-1,2-diphenyl-3-triethylsilyloxyprop-2-en-1-one (PubChem CID 132579303) has the molecular formula C21H26O2Si and a molecular weight of 338.52 g/mol. Its IUPAC name is (E)-1,2-diphenyl-3-triethylsilyloxyprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1,2-diphenyl-3-triethylsilyloxyprop-2-en-1-one
PubChem CID132579303
Molecular FormulaC21H26O2Si
Molecular Weight338.52 g/mol
Exact Mass338.17
IUPAC Name(E)-1,2-diphenyl-3-triethylsilyloxyprop-2-en-1-one
SMILESCC[Si](CC)(CC)O/C=C(/C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26O2Si/c1-4-24(5-2,6-3)23-17-20(18-13-9-7-10-14-18)21(22)19-15-11-8-12-16-19/h7-17H,4-6H2,1-3H3/b20-17+
InChIKeyATBOCRWFPWMNDC-LVZFUZTISA-N
XLogP5.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.52
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1,2-diphenylpent-2-en-1-one
CID 14568344
1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one
CID 168881643
3-ethoxy-2-phenylprop-2-enamide
CID 66596692
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
2-hydroxy-1-phenylpent-2-en-1-one
CID 154192343
ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate
CID 11844681
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(E)-3-benzoyl-2-ethylpent-2-enal
CID 173398968
(Z)-1,2,4-triphenylbut-2-ene-1,4-dione
CID 5369696
2-methylidene-1-phenylbutan-1-one
CID 11788458
3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane
CID 90689450
trimethyl(2-phenylbut-1-enoxy)silane
CID 71393581

Frequently Asked Questions

What is the IUPAC name of (E)-1,2-diphenyl-3-triethylsilyloxyprop-2-en-1-one?
The IUPAC name of (E)-1,2-diphenyl-3-triethylsilyloxyprop-2-en-1-one (CID 132579303) is (E)-1,2-diphenyl-3-triethylsilyloxyprop-2-en-1-one.
What is the SMILES notation for (E)-1,2-diphenyl-3-triethylsilyloxyprop-2-en-1-one?
The canonical SMILES for (E)-1,2-diphenyl-3-triethylsilyloxyprop-2-en-1-one is CC[Si](CC)(CC)O/C=C(/C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1,2-diphenyl-3-triethylsilyloxyprop-2-en-1-one?
The InChIKey is ATBOCRWFPWMNDC-LVZFUZTISA-N. The full InChI is InChI=1S/C21H26O2Si/c1-4-24(5-2,6-3)23-17-20(18-13-9-7-10-14-18)21(22)19-15-11-8-12-16-19/h7-17H,4-6H2,1-3H3/b20-17+.
What are the key properties of (E)-1,2-diphenyl-3-triethylsilyloxyprop-2-en-1-one?
(E)-1,2-diphenyl-3-triethylsilyloxyprop-2-en-1-one has a molecular weight of 338.52 g/mol, XLogP of 5.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-diphenyl-3-triethylsilyloxyprop-2-en-1-one is sourced from PubChem (CID 132579303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).