(Z)-4-[tert-butyl(diphenyl)silyl]-3-phenylbut-3-en-2-one

C26H28OSi — CID 10249456

IUPAC(Z)-4-[tert-butyl(diphenyl)silyl]-3-phenylbut-3-en-2-one
SMILESCC(=O)/C(=C\[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C26H28OSi/c1-21(27)25(22-14-8-5-9-15-22)20-28(26(2,3)4,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-20H,1-4H3/b25-20+
InChIKeyXUOVDBWLEYMNKG-LKUDQCMESA-N
MW384.60 g/mol
LogP5.26
Rot. Bonds5

About (Z)-4-[tert-butyl(diphenyl)silyl]-3-phenylbut-3-en-2-one

(Z)-4-[tert-butyl(diphenyl)silyl]-3-phenylbut-3-en-2-one (PubChem CID 10249456) has the molecular formula C26H28OSi and a molecular weight of 384.60 g/mol. Its IUPAC name is (Z)-4-[tert-butyl(diphenyl)silyl]-3-phenylbut-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-[tert-butyl(diphenyl)silyl]-3-phenylbut-3-en-2-one
PubChem CID10249456
Molecular FormulaC26H28OSi
Molecular Weight384.60 g/mol
Exact Mass384.19
IUPAC Name(Z)-4-[tert-butyl(diphenyl)silyl]-3-phenylbut-3-en-2-one
SMILESCC(=O)/C(=C\[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C26H28OSi/c1-21(27)25(22-14-8-5-9-15-22)20-28(26(2,3)4,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-20H,1-4H3/b25-20+
InChIKeyXUOVDBWLEYMNKG-LKUDQCMESA-N
XLogP5.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-4-[tert-butyl(diphenyl)silyl]-3-phenylbut-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Dibenzylidenecyclohexanone
CID 1550330
2,3,4,5-Tetraphenyl-2,4-cyclopentadien-1-one
CID 68068
1,7-Diphenyl-4-hepten-3-one
CID 5316932
(4E,6E)-1,7-Diphenylhepta-4,6-Dien-3-One
CID 5317598
Propiophenone, 3,3-diphenyl-
CID 69079
1,2,2-Triphenylethanone
CID 94966
Dypnone
CID 95329
2,5-Diphenyl-2,5-cyclohexadiene-1,4-dione
CID 70055
1,5-Diphenyl-4-penten-1-one
CID 5369804
1,1,1-Triphenylacetone
CID 298660
3,3''-(1,4-Phenylene)diacrylophenone
CID 5367065
3,4-Diphenyl-but-3-EN-2-one
CID 5383392

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[tert-butyl(diphenyl)silyl]-3-phenylbut-3-en-2-one?
The IUPAC name of (Z)-4-[tert-butyl(diphenyl)silyl]-3-phenylbut-3-en-2-one (CID 10249456) is (Z)-4-[tert-butyl(diphenyl)silyl]-3-phenylbut-3-en-2-one.
What is the SMILES notation for (Z)-4-[tert-butyl(diphenyl)silyl]-3-phenylbut-3-en-2-one?
The canonical SMILES for (Z)-4-[tert-butyl(diphenyl)silyl]-3-phenylbut-3-en-2-one is CC(=O)/C(=C\[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1.
What is the InChIKey of (Z)-4-[tert-butyl(diphenyl)silyl]-3-phenylbut-3-en-2-one?
The InChIKey is XUOVDBWLEYMNKG-LKUDQCMESA-N. The full InChI is InChI=1S/C26H28OSi/c1-21(27)25(22-14-8-5-9-15-22)20-28(26(2,3)4,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-20H,1-4H3/b25-20+.
What are the key properties of (Z)-4-[tert-butyl(diphenyl)silyl]-3-phenylbut-3-en-2-one?
(Z)-4-[tert-butyl(diphenyl)silyl]-3-phenylbut-3-en-2-one has a molecular weight of 384.60 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[tert-butyl(diphenyl)silyl]-3-phenylbut-3-en-2-one is sourced from PubChem (CID 10249456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).