3-[1-bromoethoxy(diethoxy)silyl]propyl 2-methylpropanoate

C13H27BrO5Si — CID 167435005

IUPAC3-[1-bromoethoxy(diethoxy)silyl]propyl 2-methylpropanoate
SMILESCCO[Si](CCCOC(=O)C(C)C)(OCC)OC(C)Br
InChIInChI=1S/C13H27BrO5Si/c1-6-17-20(18-7-2,19-12(5)14)10-8-9-16-13(15)11(3)4/h11-12H,6-10H2,1-5H3
InChIKeyYISCWCBNCNCAMR-UHFFFAOYSA-N
MW371.34 g/mol
LogP3.35
Rot. Bonds11

About 3-[1-bromoethoxy(diethoxy)silyl]propyl 2-methylpropanoate

3-[1-bromoethoxy(diethoxy)silyl]propyl 2-methylpropanoate (PubChem CID 167435005) has the molecular formula C13H27BrO5Si and a molecular weight of 371.34 g/mol. Its IUPAC name is 3-[1-bromoethoxy(diethoxy)silyl]propyl 2-methylpropanoate.

Molecular Properties

Compound Name3-[1-bromoethoxy(diethoxy)silyl]propyl 2-methylpropanoate
PubChem CID167435005
Molecular FormulaC13H27BrO5Si
Molecular Weight371.34 g/mol
Exact Mass370.08
IUPAC Name3-[1-bromoethoxy(diethoxy)silyl]propyl 2-methylpropanoate
SMILESCCO[Si](CCCOC(=O)C(C)C)(OCC)OC(C)Br
InChIInChI=1S/C13H27BrO5Si/c1-6-17-20(18-7-2,19-12(5)14)10-8-9-16-13(15)11(3)4/h11-12H,6-10H2,1-5H3
InChIKeyYISCWCBNCNCAMR-UHFFFAOYSA-N
XLogP3.35
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate
CID 124675355
bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate
CID 140673134
3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate
CID 141157653
3-aminopropyl 2-methylpropanoate
CID 59078098
3-(3-triethoxysilylpropoxy)but-3-en-2-one
CID 59428530
4-[2-methyl-3-(3-triethoxysilylpropylsulfanyl)propanoyl]oxybutyl 2-methyl-3-(3-triethoxysilylpropylsulfanyl)propanoate
CID 59305878
butyl 2-methylpropanoate;2-methylpropane
CID 157176975
3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine
CID 58773749
2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate
CID 159728832
4-triethoxysilylbutyl propanoate
CID 141347796
4-triethoxysilylbutyl 2-bromo-2-methylpropanoate
CID 71424824
8-aminooctyl 2-methylpropanoate
CID 88886116

Frequently Asked Questions

What is the IUPAC name of 3-[1-bromoethoxy(diethoxy)silyl]propyl 2-methylpropanoate?
The IUPAC name of 3-[1-bromoethoxy(diethoxy)silyl]propyl 2-methylpropanoate (CID 167435005) is 3-[1-bromoethoxy(diethoxy)silyl]propyl 2-methylpropanoate.
What is the SMILES notation for 3-[1-bromoethoxy(diethoxy)silyl]propyl 2-methylpropanoate?
The canonical SMILES for 3-[1-bromoethoxy(diethoxy)silyl]propyl 2-methylpropanoate is CCO[Si](CCCOC(=O)C(C)C)(OCC)OC(C)Br.
What is the InChIKey of 3-[1-bromoethoxy(diethoxy)silyl]propyl 2-methylpropanoate?
The InChIKey is YISCWCBNCNCAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27BrO5Si/c1-6-17-20(18-7-2,19-12(5)14)10-8-9-16-13(15)11(3)4/h11-12H,6-10H2,1-5H3.
What are the key properties of 3-[1-bromoethoxy(diethoxy)silyl]propyl 2-methylpropanoate?
3-[1-bromoethoxy(diethoxy)silyl]propyl 2-methylpropanoate has a molecular weight of 371.34 g/mol, XLogP of 3.35, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-bromoethoxy(diethoxy)silyl]propyl 2-methylpropanoate is sourced from PubChem (CID 167435005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).