4-[[dimethyl(phenyl)silyl]methyl]-1,3-diphenylpent-4-en-1-one

C26H28OSi — CID 101034317

IUPAC4-[[dimethyl(phenyl)silyl]methyl]-1,3-diphenylpent-4-en-1-one
SMILESC=C(C[Si](C)(C)c1ccccc1)C(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28OSi/c1-21(20-28(2,3)24-17-11-6-12-18-24)25(22-13-7-4-8-14-22)19-26(27)23-15-9-5-10-16-23/h4-18,25H,1,19-20H2,2-3H3
InChIKeyVPEMMINMKZLGSD-UHFFFAOYSA-N
MW384.60 g/mol
LogP6.22
Rot. Bonds8

About 4-[[dimethyl(phenyl)silyl]methyl]-1,3-diphenylpent-4-en-1-one

4-[[dimethyl(phenyl)silyl]methyl]-1,3-diphenylpent-4-en-1-one (PubChem CID 101034317) has the molecular formula C26H28OSi and a molecular weight of 384.60 g/mol. Its IUPAC name is 4-[[dimethyl(phenyl)silyl]methyl]-1,3-diphenylpent-4-en-1-one.

Molecular Properties

Compound Name4-[[dimethyl(phenyl)silyl]methyl]-1,3-diphenylpent-4-en-1-one
PubChem CID101034317
Molecular FormulaC26H28OSi
Molecular Weight384.60 g/mol
Exact Mass384.19
IUPAC Name4-[[dimethyl(phenyl)silyl]methyl]-1,3-diphenylpent-4-en-1-one
SMILESC=C(C[Si](C)(C)c1ccccc1)C(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28OSi/c1-21(20-28(2,3)24-17-11-6-12-18-24)25(22-13-7-4-8-14-22)19-26(27)23-15-9-5-10-16-23/h4-18,25H,1,19-20H2,2-3H3
InChIKeyVPEMMINMKZLGSD-UHFFFAOYSA-N
XLogP6.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzophenone
CID 3102
Cyclohexyl phenyl ketone
CID 12837
2-Phenylacetophenone
CID 9948
1,4-Bis(phenylglyoxaloyl)benzene
CID 137905
4-Acetylbiphenyl
CID 7113
4-Benzoylbiphenyl
CID 75040
Dihydrochalcone
CID 64802
p-Phenylpropiophenone
CID 95230
5-Phenylpenta-2,4-dienophenone
CID 1549519
4-Phenylbutyrophenone
CID 79413
4,4'-Diacetylbibenzyl
CID 13100
1,2-Dibenzoylbenzene
CID 70875

Frequently Asked Questions

What is the IUPAC name of 4-[[dimethyl(phenyl)silyl]methyl]-1,3-diphenylpent-4-en-1-one?
The IUPAC name of 4-[[dimethyl(phenyl)silyl]methyl]-1,3-diphenylpent-4-en-1-one (CID 101034317) is 4-[[dimethyl(phenyl)silyl]methyl]-1,3-diphenylpent-4-en-1-one.
What is the SMILES notation for 4-[[dimethyl(phenyl)silyl]methyl]-1,3-diphenylpent-4-en-1-one?
The canonical SMILES for 4-[[dimethyl(phenyl)silyl]methyl]-1,3-diphenylpent-4-en-1-one is C=C(C[Si](C)(C)c1ccccc1)C(CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[[dimethyl(phenyl)silyl]methyl]-1,3-diphenylpent-4-en-1-one?
The InChIKey is VPEMMINMKZLGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28OSi/c1-21(20-28(2,3)24-17-11-6-12-18-24)25(22-13-7-4-8-14-22)19-26(27)23-15-9-5-10-16-23/h4-18,25H,1,19-20H2,2-3H3.
What are the key properties of 4-[[dimethyl(phenyl)silyl]methyl]-1,3-diphenylpent-4-en-1-one?
4-[[dimethyl(phenyl)silyl]methyl]-1,3-diphenylpent-4-en-1-one has a molecular weight of 384.60 g/mol, XLogP of 6.22, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[dimethyl(phenyl)silyl]methyl]-1,3-diphenylpent-4-en-1-one is sourced from PubChem (CID 101034317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).