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

C17H29BrO3Si — CID 66846146

IUPAC2-[4-(1-bromopropyl)phenyl]ethyl-triethoxysilane
SMILESCCO[Si](CCc1ccc(C(Br)CC)cc1)(OCC)OCC
InChIInChI=1S/C17H29BrO3Si/c1-5-17(18)16-11-9-15(10-12-16)13-14-22(19-6-2,20-7-3)21-8-4/h9-12,17H,5-8,13-14H2,1-4H3
InChIKeyABHPUKOXXXQGQI-UHFFFAOYSA-N
MW389.41 g/mol
LogP5.12
Rot. Bonds11

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

2-[4-(1-bromopropyl)phenyl]ethyl-triethoxysilane (PubChem CID 66846146) has the molecular formula C17H29BrO3Si and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-[4-(1-bromopropyl)phenyl]ethyl-triethoxysilane.

Molecular Properties

Compound Name2-[4-(1-bromopropyl)phenyl]ethyl-triethoxysilane
PubChem CID66846146
Molecular FormulaC17H29BrO3Si
Molecular Weight389.41 g/mol
Exact Mass388.11
IUPAC Name2-[4-(1-bromopropyl)phenyl]ethyl-triethoxysilane
SMILESCCO[Si](CCc1ccc(C(Br)CC)cc1)(OCC)OCC
InChIInChI=1S/C17H29BrO3Si/c1-5-17(18)16-11-9-15(10-12-16)13-14-22(19-6-2,20-7-3)21-8-4/h9-12,17H,5-8,13-14H2,1-4H3
InChIKeyABHPUKOXXXQGQI-UHFFFAOYSA-N
XLogP5.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.41
LogP ≤ 55.12
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-bromopropyl)phenyl]ethyl-triethoxysilane?
The IUPAC name of 2-[4-(1-bromopropyl)phenyl]ethyl-triethoxysilane (CID 66846146) is 2-[4-(1-bromopropyl)phenyl]ethyl-triethoxysilane.
What is the SMILES notation for 2-[4-(1-bromopropyl)phenyl]ethyl-triethoxysilane?
The canonical SMILES for 2-[4-(1-bromopropyl)phenyl]ethyl-triethoxysilane is CCO[Si](CCc1ccc(C(Br)CC)cc1)(OCC)OCC.
What is the InChIKey of 2-[4-(1-bromopropyl)phenyl]ethyl-triethoxysilane?
The InChIKey is ABHPUKOXXXQGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrO3Si/c1-5-17(18)16-11-9-15(10-12-16)13-14-22(19-6-2,20-7-3)21-8-4/h9-12,17H,5-8,13-14H2,1-4H3.
What are the key properties of 2-[4-(1-bromopropyl)phenyl]ethyl-triethoxysilane?
2-[4-(1-bromopropyl)phenyl]ethyl-triethoxysilane has a molecular weight of 389.41 g/mol, XLogP of 5.12, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-bromopropyl)phenyl]ethyl-triethoxysilane is sourced from PubChem (CID 66846146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).