3-(2-bromophenoxy)propyl-triethoxysilane

C15H25BrO4Si — CID 23271728

IUPAC3-(2-bromophenoxy)propyl-triethoxysilane
SMILESCCO[Si](CCCOc1ccccc1Br)(OCC)OCC
InChIInChI=1S/C15H25BrO4Si/c1-4-18-21(19-5-2,20-6-3)13-9-12-17-15-11-8-7-10-14(15)16/h7-8,10-11H,4-6,9,12-13H2,1-3H3
InChIKeyYJNCZCVZXWQMAC-UHFFFAOYSA-N
MW377.35 g/mol
LogP4.27
Rot. Bonds11

About 3-(2-bromophenoxy)propyl-triethoxysilane

3-(2-bromophenoxy)propyl-triethoxysilane (PubChem CID 23271728) has the molecular formula C15H25BrO4Si and a molecular weight of 377.35 g/mol. Its IUPAC name is 3-(2-bromophenoxy)propyl-triethoxysilane.

Molecular Properties

Compound Name3-(2-bromophenoxy)propyl-triethoxysilane
PubChem CID23271728
Molecular FormulaC15H25BrO4Si
Molecular Weight377.35 g/mol
Exact Mass376.07
IUPAC Name3-(2-bromophenoxy)propyl-triethoxysilane
SMILESCCO[Si](CCCOc1ccccc1Br)(OCC)OCC
InChIInChI=1S/C15H25BrO4Si/c1-4-18-21(19-5-2,20-6-3)13-9-12-17-15-11-8-7-10-14(15)16/h7-8,10-11H,4-6,9,12-13H2,1-3H3
InChIKeyYJNCZCVZXWQMAC-UHFFFAOYSA-N
XLogP4.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene
CID 2288878
1-bromo-2-(3-chloropropoxy)benzene
CID 22048648
1-bromo-2-(4-ethylhexoxy)benzene
CID 141091967
triethoxy(5-phenoxypentyl)silane
CID 69261827
ethyl 4-(2-bromophenoxy)butanoate
CID 15070114
1-bromo-2-(4-phenoxybutoxy)benzene
CID 54285155
1-bromo-2-(3-phenoxypropoxy)benzene
CID 60665314
4-(2-bromophenoxy)butyl-methylazanium
CID 7454617
(2-butoxyphenyl) 6-triethoxysilylhexanoate
CID 67643368
1-bromo-2-(3,3-dimethylbutoxy)benzene
CID 63530273
sodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide
CID 139829561
1-bromo-2-(butoxymethoxy)benzene
CID 15093582

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenoxy)propyl-triethoxysilane?
The IUPAC name of 3-(2-bromophenoxy)propyl-triethoxysilane (CID 23271728) is 3-(2-bromophenoxy)propyl-triethoxysilane.
What is the SMILES notation for 3-(2-bromophenoxy)propyl-triethoxysilane?
The canonical SMILES for 3-(2-bromophenoxy)propyl-triethoxysilane is CCO[Si](CCCOc1ccccc1Br)(OCC)OCC.
What is the InChIKey of 3-(2-bromophenoxy)propyl-triethoxysilane?
The InChIKey is YJNCZCVZXWQMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrO4Si/c1-4-18-21(19-5-2,20-6-3)13-9-12-17-15-11-8-7-10-14(15)16/h7-8,10-11H,4-6,9,12-13H2,1-3H3.
What are the key properties of 3-(2-bromophenoxy)propyl-triethoxysilane?
3-(2-bromophenoxy)propyl-triethoxysilane has a molecular weight of 377.35 g/mol, XLogP of 4.27, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenoxy)propyl-triethoxysilane is sourced from PubChem (CID 23271728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).