(E)-1,4-diphenyl-2-(1-trimethylsilylethenyl)but-2-ene-1,4-dione

C21H22O2Si — CID 15339829

IUPAC(E)-1,4-diphenyl-2-(1-trimethylsilylethenyl)but-2-ene-1,4-dione
SMILESC=C(/C(=C/C(=O)c1ccccc1)C(=O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C21H22O2Si/c1-16(24(2,3)4)19(21(23)18-13-9-6-10-14-18)15-20(22)17-11-7-5-8-12-17/h5-15H,1H2,2-4H3/b19-15-
InChIKeyHWOBGNMQLVPSDP-CYVLTUHYSA-N
MW334.49 g/mol
LogP5.11
Rot. Bonds6

About (E)-1,4-diphenyl-2-(1-trimethylsilylethenyl)but-2-ene-1,4-dione

(E)-1,4-diphenyl-2-(1-trimethylsilylethenyl)but-2-ene-1,4-dione (PubChem CID 15339829) has the molecular formula C21H22O2Si and a molecular weight of 334.49 g/mol. Its IUPAC name is (E)-1,4-diphenyl-2-(1-trimethylsilylethenyl)but-2-ene-1,4-dione.

Molecular Properties

Compound Name(E)-1,4-diphenyl-2-(1-trimethylsilylethenyl)but-2-ene-1,4-dione
PubChem CID15339829
Molecular FormulaC21H22O2Si
Molecular Weight334.49 g/mol
Exact Mass334.14
IUPAC Name(E)-1,4-diphenyl-2-(1-trimethylsilylethenyl)but-2-ene-1,4-dione
SMILESC=C(/C(=C/C(=O)c1ccccc1)C(=O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C21H22O2Si/c1-16(24(2,3)4)19(21(23)18-13-9-6-10-14-18)15-20(22)17-11-7-5-8-12-17/h5-15H,1H2,2-4H3/b19-15-
InChIKeyHWOBGNMQLVPSDP-CYVLTUHYSA-N
XLogP5.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.49
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1,2,4-triphenylbut-2-ene-1,4-dione
CID 5369696
2-methylidene-1-phenylbutane-1,3-dione
CID 11344281
3-hydroxy-1-phenylbut-2-en-1-one;bis((E)-3-hydroxy-1-phenylbut-2-en-1-one);iron
CID 135504737
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(E)-3-bromo-1-phenylbut-2-en-1-one
CID 13299915
(Z)-1-phenyl-3-trimethylsilylhept-2-ene-1,4-dione
CID 171377820
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368

Frequently Asked Questions

What is the IUPAC name of (E)-1,4-diphenyl-2-(1-trimethylsilylethenyl)but-2-ene-1,4-dione?
The IUPAC name of (E)-1,4-diphenyl-2-(1-trimethylsilylethenyl)but-2-ene-1,4-dione (CID 15339829) is (E)-1,4-diphenyl-2-(1-trimethylsilylethenyl)but-2-ene-1,4-dione.
What is the SMILES notation for (E)-1,4-diphenyl-2-(1-trimethylsilylethenyl)but-2-ene-1,4-dione?
The canonical SMILES for (E)-1,4-diphenyl-2-(1-trimethylsilylethenyl)but-2-ene-1,4-dione is C=C(/C(=C/C(=O)c1ccccc1)C(=O)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (E)-1,4-diphenyl-2-(1-trimethylsilylethenyl)but-2-ene-1,4-dione?
The InChIKey is HWOBGNMQLVPSDP-CYVLTUHYSA-N. The full InChI is InChI=1S/C21H22O2Si/c1-16(24(2,3)4)19(21(23)18-13-9-6-10-14-18)15-20(22)17-11-7-5-8-12-17/h5-15H,1H2,2-4H3/b19-15-.
What are the key properties of (E)-1,4-diphenyl-2-(1-trimethylsilylethenyl)but-2-ene-1,4-dione?
(E)-1,4-diphenyl-2-(1-trimethylsilylethenyl)but-2-ene-1,4-dione has a molecular weight of 334.49 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4-diphenyl-2-(1-trimethylsilylethenyl)but-2-ene-1,4-dione is sourced from PubChem (CID 15339829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).