[(E)-2-(4-chlorophenyl)ethenyl]-triethoxysilane

C14H21ClO3Si — CID 11001093

IUPAC[(E)-2-(4-chlorophenyl)ethenyl]-triethoxysilane
SMILESCCO[Si](/C=C/c1ccc(Cl)cc1)(OCC)OCC
InChIInChI=1S/C14H21ClO3Si/c1-4-16-19(17-5-2,18-6-3)12-11-13-7-9-14(15)10-8-13/h7-12H,4-6H2,1-3H3/b12-11+
InChIKeyOOOKUFLYHIQWIC-VAWYXSNFSA-N
MW300.86 g/mol
LogP3.94
Rot. Bonds8

About [(E)-2-(4-chlorophenyl)ethenyl]-triethoxysilane

[(E)-2-(4-chlorophenyl)ethenyl]-triethoxysilane (PubChem CID 11001093) has the molecular formula C14H21ClO3Si and a molecular weight of 300.86 g/mol. Its IUPAC name is [(E)-2-(4-chlorophenyl)ethenyl]-triethoxysilane.

Molecular Properties

Compound Name[(E)-2-(4-chlorophenyl)ethenyl]-triethoxysilane
PubChem CID11001093
Molecular FormulaC14H21ClO3Si
Molecular Weight300.86 g/mol
Exact Mass300.09
IUPAC Name[(E)-2-(4-chlorophenyl)ethenyl]-triethoxysilane
SMILESCCO[Si](/C=C/c1ccc(Cl)cc1)(OCC)OCC
InChIInChI=1S/C14H21ClO3Si/c1-4-16-19(17-5-2,18-6-3)12-11-13-7-9-14(15)10-8-13/h7-12H,4-6H2,1-3H3/b12-11+
InChIKeyOOOKUFLYHIQWIC-VAWYXSNFSA-N
XLogP3.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 53.94
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

Benzyltriethoxysilane
CID 75690
(4-Chlorophenyl)triethoxysilane
CID 89018
(4-Chlorophenylethynyl)trimethylsilane
CID 3337298
(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
(e)-Styryltriethoxysilane
CID 10956478
1-chloro-4-[(E)-oct-1-enyl]benzene
CID 11160395
1-Chloro-4-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)benzene
CID 11299849
(E)-1-Chloro-4-(hept-1-en-1-yl)benzene
CID 11513991
Triethoxy(4-chlorophenethyl)silane
CID 13033311

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(4-chlorophenyl)ethenyl]-triethoxysilane?
The IUPAC name of [(E)-2-(4-chlorophenyl)ethenyl]-triethoxysilane (CID 11001093) is [(E)-2-(4-chlorophenyl)ethenyl]-triethoxysilane.
What is the SMILES notation for [(E)-2-(4-chlorophenyl)ethenyl]-triethoxysilane?
The canonical SMILES for [(E)-2-(4-chlorophenyl)ethenyl]-triethoxysilane is CCO[Si](/C=C/c1ccc(Cl)cc1)(OCC)OCC.
What is the InChIKey of [(E)-2-(4-chlorophenyl)ethenyl]-triethoxysilane?
The InChIKey is OOOKUFLYHIQWIC-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H21ClO3Si/c1-4-16-19(17-5-2,18-6-3)12-11-13-7-9-14(15)10-8-13/h7-12H,4-6H2,1-3H3/b12-11+.
What are the key properties of [(E)-2-(4-chlorophenyl)ethenyl]-triethoxysilane?
[(E)-2-(4-chlorophenyl)ethenyl]-triethoxysilane has a molecular weight of 300.86 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(4-chlorophenyl)ethenyl]-triethoxysilane is sourced from PubChem (CID 11001093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).