2-[4-(1-bromoethyl)phenyl]ethyl-triethoxysilane

C16H27BrO3Si — CID 66846155

IUPAC2-[4-(1-bromoethyl)phenyl]ethyl-triethoxysilane
SMILESCCO[Si](CCc1ccc(C(C)Br)cc1)(OCC)OCC
InChIInChI=1S/C16H27BrO3Si/c1-5-18-21(19-6-2,20-7-3)13-12-15-8-10-16(11-9-15)14(4)17/h8-11,14H,5-7,12-13H2,1-4H3
InChIKeyIKUAMWKIGOPNTH-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.73
Rot. Bonds10

About 2-[4-(1-bromoethyl)phenyl]ethyl-triethoxysilane

2-[4-(1-bromoethyl)phenyl]ethyl-triethoxysilane (PubChem CID 66846155) has the molecular formula C16H27BrO3Si and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-[4-(1-bromoethyl)phenyl]ethyl-triethoxysilane.

Molecular Properties

Compound Name2-[4-(1-bromoethyl)phenyl]ethyl-triethoxysilane
PubChem CID66846155
Molecular FormulaC16H27BrO3Si
Molecular Weight375.38 g/mol
Exact Mass374.09
IUPAC Name2-[4-(1-bromoethyl)phenyl]ethyl-triethoxysilane
SMILESCCO[Si](CCc1ccc(C(C)Br)cc1)(OCC)OCC
InChIInChI=1S/C16H27BrO3Si/c1-5-18-21(19-6-2,20-7-3)13-12-15-8-10-16(11-9-15)14(4)17/h8-11,14H,5-7,12-13H2,1-4H3
InChIKeyIKUAMWKIGOPNTH-UHFFFAOYSA-N
XLogP4.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.73
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-(1-bromoethyl)phenyl]ethyl-triethoxysilane?
The IUPAC name of 2-[4-(1-bromoethyl)phenyl]ethyl-triethoxysilane (CID 66846155) is 2-[4-(1-bromoethyl)phenyl]ethyl-triethoxysilane.
What is the SMILES notation for 2-[4-(1-bromoethyl)phenyl]ethyl-triethoxysilane?
The canonical SMILES for 2-[4-(1-bromoethyl)phenyl]ethyl-triethoxysilane is CCO[Si](CCc1ccc(C(C)Br)cc1)(OCC)OCC.
What is the InChIKey of 2-[4-(1-bromoethyl)phenyl]ethyl-triethoxysilane?
The InChIKey is IKUAMWKIGOPNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrO3Si/c1-5-18-21(19-6-2,20-7-3)13-12-15-8-10-16(11-9-15)14(4)17/h8-11,14H,5-7,12-13H2,1-4H3.
What are the key properties of 2-[4-(1-bromoethyl)phenyl]ethyl-triethoxysilane?
2-[4-(1-bromoethyl)phenyl]ethyl-triethoxysilane has a molecular weight of 375.38 g/mol, XLogP of 4.73, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-bromoethyl)phenyl]ethyl-triethoxysilane is sourced from PubChem (CID 66846155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).