2-(4-chlorophenyl)ethyl-triethoxysilane

C14H23ClO3Si — CID 13033311

IUPAC2-(4-chlorophenyl)ethyl-triethoxysilane
SMILESCCO[Si](CCc1ccc(Cl)cc1)(OCC)OCC
InChIInChI=1S/C14H23ClO3Si/c1-4-16-19(17-5-2,18-6-3)12-11-13-7-9-14(15)10-8-13/h7-10H,4-6,11-12H2,1-3H3
InChIKeyFPVPFXPYSSLHRP-UHFFFAOYSA-N
MW302.87 g/mol
LogP3.93
Rot. Bonds9

About 2-(4-chlorophenyl)ethyl-triethoxysilane

2-(4-chlorophenyl)ethyl-triethoxysilane (PubChem CID 13033311) has the molecular formula C14H23ClO3Si and a molecular weight of 302.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)ethyl-triethoxysilane.

Molecular Properties

Compound Name2-(4-chlorophenyl)ethyl-triethoxysilane
PubChem CID13033311
Molecular FormulaC14H23ClO3Si
Molecular Weight302.87 g/mol
Exact Mass302.11
IUPAC Name2-(4-chlorophenyl)ethyl-triethoxysilane
SMILESCCO[Si](CCc1ccc(Cl)cc1)(OCC)OCC
InChIInChI=1S/C14H23ClO3Si/c1-4-16-19(17-5-2,18-6-3)12-11-13-7-9-14(15)10-8-13/h7-10H,4-6,11-12H2,1-3H3
InChIKeyFPVPFXPYSSLHRP-UHFFFAOYSA-N
XLogP3.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-Chlorophenyl)triethoxysilane
CID 89018
Phenethyltriethoxysilane
CID 11097560
(4-Chlorobenzyl)trimethylsilane
CID 239701
p-Chlorobenzylmethyl trimethoxysilane
CID 53921180
Silane, [2-[4-(chloromethyl)phenyl]ethyl]triethoxy-
CID 56995244
Triethyl(4-chlorobenzyloxy)silane
CID 580827
1-Chloro-4-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)benzene
CID 11299849
Triethoxy(1-phenylethyl)silane
CID 11380172
Triethoxy(3-phenylpropyl)silane
CID 13299201
Silane, (3-chlorophenyl)triethoxy-
CID 2757876
Silane, [2-(4-chlorophenyl)ethyl]triethyl-
CID 10868865
[(E)-2-(4-chlorophenyl)ethenyl]-triethoxysilane
CID 11001093

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)ethyl-triethoxysilane?
The IUPAC name of 2-(4-chlorophenyl)ethyl-triethoxysilane (CID 13033311) is 2-(4-chlorophenyl)ethyl-triethoxysilane.
What is the SMILES notation for 2-(4-chlorophenyl)ethyl-triethoxysilane?
The canonical SMILES for 2-(4-chlorophenyl)ethyl-triethoxysilane is CCO[Si](CCc1ccc(Cl)cc1)(OCC)OCC.
What is the InChIKey of 2-(4-chlorophenyl)ethyl-triethoxysilane?
The InChIKey is FPVPFXPYSSLHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClO3Si/c1-4-16-19(17-5-2,18-6-3)12-11-13-7-9-14(15)10-8-13/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)ethyl-triethoxysilane?
2-(4-chlorophenyl)ethyl-triethoxysilane has a molecular weight of 302.87 g/mol, XLogP of 3.93, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)ethyl-triethoxysilane is sourced from PubChem (CID 13033311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).