1-triphenylsilylprop-2-en-1-one

C21H18OSi — CID 15033005

IUPAC1-triphenylsilylprop-2-en-1-one
SMILESC=CC(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18OSi/c1-2-21(22)23(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H2
InChIKeyWQVHAHUZQMJDRX-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.45
Rot. Bonds5

About 1-triphenylsilylprop-2-en-1-one

1-triphenylsilylprop-2-en-1-one (PubChem CID 15033005) has the molecular formula C21H18OSi and a molecular weight of 314.46 g/mol. Its IUPAC name is 1-triphenylsilylprop-2-en-1-one.

Molecular Properties

Compound Name1-triphenylsilylprop-2-en-1-one
PubChem CID15033005
Molecular FormulaC21H18OSi
Molecular Weight314.46 g/mol
Exact Mass314.11
IUPAC Name1-triphenylsilylprop-2-en-1-one
SMILESC=CC(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18OSi/c1-2-21(22)23(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H2
InChIKeyWQVHAHUZQMJDRX-UHFFFAOYSA-N
XLogP2.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.45
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 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

Related Compounds

benzene;phenol;prop-2-enoic acid
CID 174875932
phenol;bis(prop-2-enoic acid);hydrofluoride
CID 175753146
(2E,5Z)-1-triphenylsilyldeca-2,5-dien-1-one
CID 135078042
dihydroxy(diphenyl)silane;tris(ethenyl)-phenylsilane
CID 68594872
triphenyl(1-triphenylsilylpropa-1,2-dienyl)silane
CID 518172
N-[[dimethyl(phenyl)silyl]methyl]prop-2-enamide
CID 166259140
2-[diphenyl(2-prop-2-enoyloxyethyl)silyl]ethyl prop-2-enoate
CID 155652880
benzene-1,3-diol;hexakis(prop-2-enoic acid)
CID 158588762
prop-2-enoic acid;styrene
CID 160851252
prop-2-enoic acid;bis(1,2-xylene)
CID 175543794
oxirane;phenol;bis(prop-2-enoic acid)
CID 158727364
2,2,3,3,3-pentafluoro-1-triphenylsilylpropan-1-one
CID 71343647

Frequently Asked Questions

What is the IUPAC name of 1-triphenylsilylprop-2-en-1-one?
The IUPAC name of 1-triphenylsilylprop-2-en-1-one (CID 15033005) is 1-triphenylsilylprop-2-en-1-one.
What is the SMILES notation for 1-triphenylsilylprop-2-en-1-one?
The canonical SMILES for 1-triphenylsilylprop-2-en-1-one is C=CC(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-triphenylsilylprop-2-en-1-one?
The InChIKey is WQVHAHUZQMJDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18OSi/c1-2-21(22)23(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H2.
What are the key properties of 1-triphenylsilylprop-2-en-1-one?
1-triphenylsilylprop-2-en-1-one has a molecular weight of 314.46 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triphenylsilylprop-2-en-1-one is sourced from PubChem (CID 15033005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).