1-(4-chloro-2,6-dimethylphenyl)ethoxy-triethylsilane

C16H27ClOSi — CID 123489978

IUPAC1-(4-chloro-2,6-dimethylphenyl)ethoxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C)c1c(C)cc(Cl)cc1C
InChIInChI=1S/C16H27ClOSi/c1-7-19(8-2,9-3)18-14(6)16-12(4)10-15(17)11-13(16)5/h10-11,14H,7-9H2,1-6H3
InChIKeyAJKLLXILSVDNPX-UHFFFAOYSA-N
MW298.93 g/mol
LogP6.04
Rot. Bonds6

About 1-(4-chloro-2,6-dimethylphenyl)ethoxy-triethylsilane

1-(4-chloro-2,6-dimethylphenyl)ethoxy-triethylsilane (PubChem CID 123489978) has the molecular formula C16H27ClOSi and a molecular weight of 298.93 g/mol. Its IUPAC name is 1-(4-chloro-2,6-dimethylphenyl)ethoxy-triethylsilane.

Molecular Properties

Compound Name1-(4-chloro-2,6-dimethylphenyl)ethoxy-triethylsilane
PubChem CID123489978
Molecular FormulaC16H27ClOSi
Molecular Weight298.93 g/mol
Exact Mass298.15
IUPAC Name1-(4-chloro-2,6-dimethylphenyl)ethoxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C)c1c(C)cc(Cl)cc1C
InChIInChI=1S/C16H27ClOSi/c1-7-19(8-2,9-3)18-14(6)16-12(4)10-15(17)11-13(16)5/h10-11,14H,7-9H2,1-6H3
InChIKeyAJKLLXILSVDNPX-UHFFFAOYSA-N
XLogP6.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.93
LogP ≤ 56.04
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

1-(2-chloro-6-methoxyphenyl)ethoxy-triethylsilane
CID 123207858
[1-(2-chloro-4,6-dimethylphenyl)-3-(4,4-dimethylcyclohexyl)propoxy]-triethylsilane
CID 158762913
(2R)-3-(4-chloro-2,6-dimethylphenoxy)-2-methylpropan-1-amine
CID 44593042
2-(2-chloro-4,6-dimethylphenyl)-N-(spiro[2.5]octan-6-ylmethyl)-2-triethylsilyloxyethanamine
CID 123276173
5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846
2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine
CID 62450743
[2-(4-chloro-2-methylphenyl)-1-triethoxysilylethyl]-triethoxysilane
CID 151043884
[1-(3-chloro-5-methyl-4-pyridinyl)-3-[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]propoxy]-triethylsilane
CID 159162012
4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene
CID 91716374
1-(bromomethyl)-5-chloro-2-(difluoromethoxy)-3-methylbenzene
CID 131311635
(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine
CID 130804178
2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid
CID 83899428

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,6-dimethylphenyl)ethoxy-triethylsilane?
The IUPAC name of 1-(4-chloro-2,6-dimethylphenyl)ethoxy-triethylsilane (CID 123489978) is 1-(4-chloro-2,6-dimethylphenyl)ethoxy-triethylsilane.
What is the SMILES notation for 1-(4-chloro-2,6-dimethylphenyl)ethoxy-triethylsilane?
The canonical SMILES for 1-(4-chloro-2,6-dimethylphenyl)ethoxy-triethylsilane is CC[Si](CC)(CC)OC(C)c1c(C)cc(Cl)cc1C.
What is the InChIKey of 1-(4-chloro-2,6-dimethylphenyl)ethoxy-triethylsilane?
The InChIKey is AJKLLXILSVDNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClOSi/c1-7-19(8-2,9-3)18-14(6)16-12(4)10-15(17)11-13(16)5/h10-11,14H,7-9H2,1-6H3.
What are the key properties of 1-(4-chloro-2,6-dimethylphenyl)ethoxy-triethylsilane?
1-(4-chloro-2,6-dimethylphenyl)ethoxy-triethylsilane has a molecular weight of 298.93 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-dimethylphenyl)ethoxy-triethylsilane is sourced from PubChem (CID 123489978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).