(1E)-4-[[dimethyl(phenyl)silyl]methyl]-1-phenylpenta-1,4-dien-3-one

C20H22OSi — CID 12046570

IUPAC(1E)-4-[[dimethyl(phenyl)silyl]methyl]-1-phenylpenta-1,4-dien-3-one
SMILESC=C(C[Si](C)(C)c1ccccc1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H22OSi/c1-17(16-22(2,3)19-12-8-5-9-13-19)20(21)15-14-18-10-6-4-7-11-18/h4-15H,1,16H2,2-3H3/b15-14+
InChIKeyYGUGKKKSLHVRBS-CCEZHUSRSA-N
MW306.48 g/mol
LogP4.44
Rot. Bonds6

About (1E)-4-[[dimethyl(phenyl)silyl]methyl]-1-phenylpenta-1,4-dien-3-one

(1E)-4-[[dimethyl(phenyl)silyl]methyl]-1-phenylpenta-1,4-dien-3-one (PubChem CID 12046570) has the molecular formula C20H22OSi and a molecular weight of 306.48 g/mol. Its IUPAC name is (1E)-4-[[dimethyl(phenyl)silyl]methyl]-1-phenylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E)-4-[[dimethyl(phenyl)silyl]methyl]-1-phenylpenta-1,4-dien-3-one
PubChem CID12046570
Molecular FormulaC20H22OSi
Molecular Weight306.48 g/mol
Exact Mass306.14
IUPAC Name(1E)-4-[[dimethyl(phenyl)silyl]methyl]-1-phenylpenta-1,4-dien-3-one
SMILESC=C(C[Si](C)(C)c1ccccc1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H22OSi/c1-17(16-22(2,3)19-12-8-5-9-13-19)20(21)15-14-18-10-6-4-7-11-18/h4-15H,1,16H2,2-3H3/b15-14+
InChIKeyYGUGKKKSLHVRBS-CCEZHUSRSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.44
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'}

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Related Compounds

Benzylideneacetone
CID 637759
(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one
CID 640180
4-Phenyl-3-Buten-2-one
CID 15909
3-Methyl-4-phenyl-3-buten-2-one
CID 5370646
2,6-Dibenzylidenecyclohexanone
CID 1550330
1-Penten-3-one, 4-methyl-1-phenyl-
CID 5354448
1,7-Diphenyl-4-hepten-3-one
CID 5316932
(4E,6E)-1,7-Diphenylhepta-4,6-Dien-3-One
CID 5317598
Dibenzalacetone, (1Z,4E)-
CID 1549622
(3E,5E)-6-phenylhexa-3,5-dien-2-one
CID 5708783
2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)-
CID 160881
(1E,6E)-1,7-Diphenylhepta-1,6-Diene-3,5-Dione
CID 5469422

Frequently Asked Questions

What is the IUPAC name of (1E)-4-[[dimethyl(phenyl)silyl]methyl]-1-phenylpenta-1,4-dien-3-one?
The IUPAC name of (1E)-4-[[dimethyl(phenyl)silyl]methyl]-1-phenylpenta-1,4-dien-3-one (CID 12046570) is (1E)-4-[[dimethyl(phenyl)silyl]methyl]-1-phenylpenta-1,4-dien-3-one.
What is the SMILES notation for (1E)-4-[[dimethyl(phenyl)silyl]methyl]-1-phenylpenta-1,4-dien-3-one?
The canonical SMILES for (1E)-4-[[dimethyl(phenyl)silyl]methyl]-1-phenylpenta-1,4-dien-3-one is C=C(C[Si](C)(C)c1ccccc1)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (1E)-4-[[dimethyl(phenyl)silyl]methyl]-1-phenylpenta-1,4-dien-3-one?
The InChIKey is YGUGKKKSLHVRBS-CCEZHUSRSA-N. The full InChI is InChI=1S/C20H22OSi/c1-17(16-22(2,3)19-12-8-5-9-13-19)20(21)15-14-18-10-6-4-7-11-18/h4-15H,1,16H2,2-3H3/b15-14+.
What are the key properties of (1E)-4-[[dimethyl(phenyl)silyl]methyl]-1-phenylpenta-1,4-dien-3-one?
(1E)-4-[[dimethyl(phenyl)silyl]methyl]-1-phenylpenta-1,4-dien-3-one has a molecular weight of 306.48 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-4-[[dimethyl(phenyl)silyl]methyl]-1-phenylpenta-1,4-dien-3-one is sourced from PubChem (CID 12046570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).