(E)-3-phenyl-1-triphenylsilylprop-2-en-1-one

C27H22OSi — CID 15033620

IUPAC(E)-3-phenyl-1-triphenylsilylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22OSi/c28-27(22-21-23-13-5-1-6-14-23)29(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H/b22-21+
InChIKeyWLWKSMIBPOCMFM-QURGRASLSA-N
MW390.56 g/mol
LogP3.98
Rot. Bonds6

About (E)-3-phenyl-1-triphenylsilylprop-2-en-1-one

(E)-3-phenyl-1-triphenylsilylprop-2-en-1-one (PubChem CID 15033620) has the molecular formula C27H22OSi and a molecular weight of 390.56 g/mol. Its IUPAC name is (E)-3-phenyl-1-triphenylsilylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-phenyl-1-triphenylsilylprop-2-en-1-one
PubChem CID15033620
Molecular FormulaC27H22OSi
Molecular Weight390.56 g/mol
Exact Mass390.14
IUPAC Name(E)-3-phenyl-1-triphenylsilylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22OSi/c28-27(22-21-23-13-5-1-6-14-23)29(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H/b22-21+
InChIKeyWLWKSMIBPOCMFM-QURGRASLSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.56
LogP ≤ 53.98
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (E)-3-phenyl-1-triphenylsilylprop-2-en-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-1-triphenylsilylprop-2-en-1-one?
The IUPAC name of (E)-3-phenyl-1-triphenylsilylprop-2-en-1-one (CID 15033620) is (E)-3-phenyl-1-triphenylsilylprop-2-en-1-one.
What is the SMILES notation for (E)-3-phenyl-1-triphenylsilylprop-2-en-1-one?
The canonical SMILES for (E)-3-phenyl-1-triphenylsilylprop-2-en-1-one is O=C(/C=C/c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-phenyl-1-triphenylsilylprop-2-en-1-one?
The InChIKey is WLWKSMIBPOCMFM-QURGRASLSA-N. The full InChI is InChI=1S/C27H22OSi/c28-27(22-21-23-13-5-1-6-14-23)29(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H/b22-21+.
What are the key properties of (E)-3-phenyl-1-triphenylsilylprop-2-en-1-one?
(E)-3-phenyl-1-triphenylsilylprop-2-en-1-one has a molecular weight of 390.56 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-triphenylsilylprop-2-en-1-one is sourced from PubChem (CID 15033620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).