1-[2-methyl-6-[(E)-1-phenyl-2-trimethylsilylethenyl]phenyl]ethanone

C20H24OSi — CID 10913878

IUPAC1-[2-methyl-6-[(E)-1-phenyl-2-trimethylsilylethenyl]phenyl]ethanone
SMILESCC(=O)c1c(C)cccc1/C(=C/[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C20H24OSi/c1-15-10-9-13-18(20(15)16(2)21)19(14-22(3,4)5)17-11-7-6-8-12-17/h6-14H,1-5H3/b19-14+
InChIKeyJXLMJXRYKSXFEU-XMHGGMMESA-N
MW308.50 g/mol
LogP5.51
Rot. Bonds4

About 1-[2-methyl-6-[(E)-1-phenyl-2-trimethylsilylethenyl]phenyl]ethanone

1-[2-methyl-6-[(E)-1-phenyl-2-trimethylsilylethenyl]phenyl]ethanone (PubChem CID 10913878) has the molecular formula C20H24OSi and a molecular weight of 308.50 g/mol. Its IUPAC name is 1-[2-methyl-6-[(E)-1-phenyl-2-trimethylsilylethenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-6-[(E)-1-phenyl-2-trimethylsilylethenyl]phenyl]ethanone
PubChem CID10913878
Molecular FormulaC20H24OSi
Molecular Weight308.50 g/mol
Exact Mass308.16
IUPAC Name1-[2-methyl-6-[(E)-1-phenyl-2-trimethylsilylethenyl]phenyl]ethanone
SMILESCC(=O)c1c(C)cccc1/C(=C/[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C20H24OSi/c1-15-10-9-13-18(20(15)16(2)21)19(14-22(3,4)5)17-11-7-6-8-12-17/h6-14H,1-5H3/b19-14+
InChIKeyJXLMJXRYKSXFEU-XMHGGMMESA-N
XLogP5.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.50
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-acetyl-3-methylbenzoic acid
CID 23423450
1-(2-methylphenyl)ethanone;1-phenylethanone
CID 160893925
carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium
CID 159397931
1-methyl-2-(1-phenylprop-1-enyl)benzene
CID 54442405
1-(2-acetyl-3-benzoylphenyl)ethanone
CID 19898396
1-(2,3-diacetylphenyl)-2-phenylethane-1,2-dione
CID 54447040
1-(2,6-dimethylphenyl)-2,3,3-triphenylprop-2-en-1-one
CID 67414749
trimethyl(2,5,5-triphenylpenta-1,4-dienyl)silane
CID 601377
bis(1-(2,3-dimethylphenyl)-2-phenylethane-1,2-dione);tris(1,2-diphenylethane-1,2-dione)
CID 173395381
3-(2-methylphenyl)-3-phenylprop-2-en-1-amine
CID 131859830
1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone
CID 11380988
ethane;1-(2-methylphenyl)ethanone
CID 91374073

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-[(E)-1-phenyl-2-trimethylsilylethenyl]phenyl]ethanone?
The IUPAC name of 1-[2-methyl-6-[(E)-1-phenyl-2-trimethylsilylethenyl]phenyl]ethanone (CID 10913878) is 1-[2-methyl-6-[(E)-1-phenyl-2-trimethylsilylethenyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-methyl-6-[(E)-1-phenyl-2-trimethylsilylethenyl]phenyl]ethanone?
The canonical SMILES for 1-[2-methyl-6-[(E)-1-phenyl-2-trimethylsilylethenyl]phenyl]ethanone is CC(=O)c1c(C)cccc1/C(=C/[Si](C)(C)C)c1ccccc1.
What is the InChIKey of 1-[2-methyl-6-[(E)-1-phenyl-2-trimethylsilylethenyl]phenyl]ethanone?
The InChIKey is JXLMJXRYKSXFEU-XMHGGMMESA-N. The full InChI is InChI=1S/C20H24OSi/c1-15-10-9-13-18(20(15)16(2)21)19(14-22(3,4)5)17-11-7-6-8-12-17/h6-14H,1-5H3/b19-14+.
What are the key properties of 1-[2-methyl-6-[(E)-1-phenyl-2-trimethylsilylethenyl]phenyl]ethanone?
1-[2-methyl-6-[(E)-1-phenyl-2-trimethylsilylethenyl]phenyl]ethanone has a molecular weight of 308.50 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-[(E)-1-phenyl-2-trimethylsilylethenyl]phenyl]ethanone is sourced from PubChem (CID 10913878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).