2-[4-(chloromethyl)phenyl]ethyl-triethoxysilane

C15H25ClO3Si — CID 56995244

IUPAC2-[4-(chloromethyl)phenyl]ethyl-triethoxysilane
SMILESCCO[Si](CCc1ccc(CCl)cc1)(OCC)OCC
InChIInChI=1S/C15H25ClO3Si/c1-4-17-20(18-5-2,19-6-3)12-11-14-7-9-15(13-16)10-8-14/h7-10H,4-6,11-13H2,1-3H3
InChIKeyJSFVRHAXCYPWRJ-UHFFFAOYSA-N
MW316.90 g/mol
LogP4.02
Rot. Bonds10

About 2-[4-(chloromethyl)phenyl]ethyl-triethoxysilane

2-[4-(chloromethyl)phenyl]ethyl-triethoxysilane (PubChem CID 56995244) has the molecular formula C15H25ClO3Si and a molecular weight of 316.90 g/mol. Its IUPAC name is 2-[4-(chloromethyl)phenyl]ethyl-triethoxysilane.

Molecular Properties

Compound Name2-[4-(chloromethyl)phenyl]ethyl-triethoxysilane
PubChem CID56995244
Molecular FormulaC15H25ClO3Si
Molecular Weight316.90 g/mol
Exact Mass316.13
IUPAC Name2-[4-(chloromethyl)phenyl]ethyl-triethoxysilane
SMILESCCO[Si](CCc1ccc(CCl)cc1)(OCC)OCC
InChIInChI=1S/C15H25ClO3Si/c1-4-17-20(18-5-2,19-6-3)12-11-14-7-9-15(13-16)10-8-14/h7-10H,4-6,11-13H2,1-3H3
InChIKeyJSFVRHAXCYPWRJ-UHFFFAOYSA-N
XLogP4.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 54.02
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-[4-(chloromethyl)phenyl]ethyl-triethoxysilane?
The IUPAC name of 2-[4-(chloromethyl)phenyl]ethyl-triethoxysilane (CID 56995244) is 2-[4-(chloromethyl)phenyl]ethyl-triethoxysilane.
What is the SMILES notation for 2-[4-(chloromethyl)phenyl]ethyl-triethoxysilane?
The canonical SMILES for 2-[4-(chloromethyl)phenyl]ethyl-triethoxysilane is CCO[Si](CCc1ccc(CCl)cc1)(OCC)OCC.
What is the InChIKey of 2-[4-(chloromethyl)phenyl]ethyl-triethoxysilane?
The InChIKey is JSFVRHAXCYPWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClO3Si/c1-4-17-20(18-5-2,19-6-3)12-11-14-7-9-15(13-16)10-8-14/h7-10H,4-6,11-13H2,1-3H3.
What are the key properties of 2-[4-(chloromethyl)phenyl]ethyl-triethoxysilane?
2-[4-(chloromethyl)phenyl]ethyl-triethoxysilane has a molecular weight of 316.90 g/mol, XLogP of 4.02, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)phenyl]ethyl-triethoxysilane is sourced from PubChem (CID 56995244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).