1-[4-methyl-2,6-bis(2-triethoxysilylethyl)phenyl]ethanone

C25H46O7Si2 — CID 86182095

IUPAC1-[4-methyl-2,6-bis(2-triethoxysilylethyl)phenyl]ethanone
SMILESCCO[Si](CCc1cc(C)cc(CC[Si](OCC)(OCC)OCC)c1C(C)=O)(OCC)OCC
InChIInChI=1S/C25H46O7Si2/c1-9-27-33(28-10-2,29-11-3)17-15-23-19-21(7)20-24(25(23)22(8)26)16-18-34(30-12-4,31-13-5)32-14-6/h19-20H,9-18H2,1-8H3
InChIKeyWHLBOCJMCRUFEI-UHFFFAOYSA-N
MW514.81 g/mol
LogP5.38
Rot. Bonds19

About 1-[4-methyl-2,6-bis(2-triethoxysilylethyl)phenyl]ethanone

1-[4-methyl-2,6-bis(2-triethoxysilylethyl)phenyl]ethanone (PubChem CID 86182095) has the molecular formula C25H46O7Si2 and a molecular weight of 514.81 g/mol. Its IUPAC name is 1-[4-methyl-2,6-bis(2-triethoxysilylethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2,6-bis(2-triethoxysilylethyl)phenyl]ethanone
PubChem CID86182095
Molecular FormulaC25H46O7Si2
Molecular Weight514.81 g/mol
Exact Mass514.28
IUPAC Name1-[4-methyl-2,6-bis(2-triethoxysilylethyl)phenyl]ethanone
SMILESCCO[Si](CCc1cc(C)cc(CC[Si](OCC)(OCC)OCC)c1C(C)=O)(OCC)OCC
InChIInChI=1S/C25H46O7Si2/c1-9-27-33(28-10-2,29-11-3)17-15-23-19-21(7)20-24(25(23)22(8)26)16-18-34(30-12-4,31-13-5)32-14-6/h19-20H,9-18H2,1-8H3
InChIKeyWHLBOCJMCRUFEI-UHFFFAOYSA-N
XLogP5.38
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.81
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Ethanone, 1-(2,4,6-trimethylphenyl)-
CID 15461
1-(2,3,5,6-Tetramethyl-phenyl)-ethanone
CID 252692
1,2-Bis(2,4,6-trimethylphenyl)ethane-1,2-dione
CID 1972026
2',4',6'-Triisopropylacetophenone
CID 75224
2,2',4,4',6,6'-Hexamethylbenzophenone
CID 79722
Propiophenone, 2,2',4',6'-tetramethyl-
CID 245131
Mesitylglyoxal
CID 96611
1-Mesitylbutane-1,3-dione
CID 367102
1-(2,3,4,5-Tetramethylphenyl)-1-butanone
CID 6427132
2,4,6-Trimethylphenyl isobutyl ketone
CID 219606
2,4,6-Trimethylpropiophenone
CID 590158
1-[4-Ethyl-2,6-di(propan-2-yl)phenyl]ethanone
CID 145959450

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2,6-bis(2-triethoxysilylethyl)phenyl]ethanone?
The IUPAC name of 1-[4-methyl-2,6-bis(2-triethoxysilylethyl)phenyl]ethanone (CID 86182095) is 1-[4-methyl-2,6-bis(2-triethoxysilylethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-methyl-2,6-bis(2-triethoxysilylethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-methyl-2,6-bis(2-triethoxysilylethyl)phenyl]ethanone is CCO[Si](CCc1cc(C)cc(CC[Si](OCC)(OCC)OCC)c1C(C)=O)(OCC)OCC.
What is the InChIKey of 1-[4-methyl-2,6-bis(2-triethoxysilylethyl)phenyl]ethanone?
The InChIKey is WHLBOCJMCRUFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46O7Si2/c1-9-27-33(28-10-2,29-11-3)17-15-23-19-21(7)20-24(25(23)22(8)26)16-18-34(30-12-4,31-13-5)32-14-6/h19-20H,9-18H2,1-8H3.
What are the key properties of 1-[4-methyl-2,6-bis(2-triethoxysilylethyl)phenyl]ethanone?
1-[4-methyl-2,6-bis(2-triethoxysilylethyl)phenyl]ethanone has a molecular weight of 514.81 g/mol, XLogP of 5.38, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2,6-bis(2-triethoxysilylethyl)phenyl]ethanone is sourced from PubChem (CID 86182095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).