2-[2-(chloromethyl)phenyl]propyl-triethoxysilane

C16H27ClO3Si — CID 21327004

IUPAC2-[2-(chloromethyl)phenyl]propyl-triethoxysilane
SMILESCCO[Si](CC(C)c1ccccc1CCl)(OCC)OCC
InChIInChI=1S/C16H27ClO3Si/c1-5-18-21(19-6-2,20-7-3)13-14(4)16-11-9-8-10-15(16)12-17/h8-11,14H,5-7,12-13H2,1-4H3
InChIKeyIMXBVYNCYIYAGE-UHFFFAOYSA-N
MW330.93 g/mol
LogP4.58
Rot. Bonds10

About 2-[2-(chloromethyl)phenyl]propyl-triethoxysilane

2-[2-(chloromethyl)phenyl]propyl-triethoxysilane (PubChem CID 21327004) has the molecular formula C16H27ClO3Si and a molecular weight of 330.93 g/mol. Its IUPAC name is 2-[2-(chloromethyl)phenyl]propyl-triethoxysilane.

Molecular Properties

Compound Name2-[2-(chloromethyl)phenyl]propyl-triethoxysilane
PubChem CID21327004
Molecular FormulaC16H27ClO3Si
Molecular Weight330.93 g/mol
Exact Mass330.14
IUPAC Name2-[2-(chloromethyl)phenyl]propyl-triethoxysilane
SMILESCCO[Si](CC(C)c1ccccc1CCl)(OCC)OCC
InChIInChI=1S/C16H27ClO3Si/c1-5-18-21(19-6-2,20-7-3)13-14(4)16-11-9-8-10-15(16)12-17/h8-11,14H,5-7,12-13H2,1-4H3
InChIKeyIMXBVYNCYIYAGE-UHFFFAOYSA-N
XLogP4.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.93
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)phenyl]propyl-triethoxysilane?
The IUPAC name of 2-[2-(chloromethyl)phenyl]propyl-triethoxysilane (CID 21327004) is 2-[2-(chloromethyl)phenyl]propyl-triethoxysilane.
What is the SMILES notation for 2-[2-(chloromethyl)phenyl]propyl-triethoxysilane?
The canonical SMILES for 2-[2-(chloromethyl)phenyl]propyl-triethoxysilane is CCO[Si](CC(C)c1ccccc1CCl)(OCC)OCC.
What is the InChIKey of 2-[2-(chloromethyl)phenyl]propyl-triethoxysilane?
The InChIKey is IMXBVYNCYIYAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClO3Si/c1-5-18-21(19-6-2,20-7-3)13-14(4)16-11-9-8-10-15(16)12-17/h8-11,14H,5-7,12-13H2,1-4H3.
What are the key properties of 2-[2-(chloromethyl)phenyl]propyl-triethoxysilane?
2-[2-(chloromethyl)phenyl]propyl-triethoxysilane has a molecular weight of 330.93 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)phenyl]propyl-triethoxysilane is sourced from PubChem (CID 21327004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).