4-triethoxysilylbutyl 2-bromo-2-methylpropanoate

C14H29BrO5Si — CID 71424824

IUPAC4-triethoxysilylbutyl 2-bromo-2-methylpropanoate
SMILESCCO[Si](CCCCOC(=O)C(C)(C)Br)(OCC)OCC
InChIInChI=1S/C14H29BrO5Si/c1-6-18-21(19-7-2,20-8-3)12-10-9-11-17-13(16)14(4,5)15/h6-12H2,1-5H3
InChIKeyRIFVNKPIAVCMKW-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.53
Rot. Bonds12

About 4-triethoxysilylbutyl 2-bromo-2-methylpropanoate

4-triethoxysilylbutyl 2-bromo-2-methylpropanoate (PubChem CID 71424824) has the molecular formula C14H29BrO5Si and a molecular weight of 385.37 g/mol. Its IUPAC name is 4-triethoxysilylbutyl 2-bromo-2-methylpropanoate.

Molecular Properties

Compound Name4-triethoxysilylbutyl 2-bromo-2-methylpropanoate
PubChem CID71424824
Molecular FormulaC14H29BrO5Si
Molecular Weight385.37 g/mol
Exact Mass384.10
IUPAC Name4-triethoxysilylbutyl 2-bromo-2-methylpropanoate
SMILESCCO[Si](CCCCOC(=O)C(C)(C)Br)(OCC)OCC
InChIInChI=1S/C14H29BrO5Si/c1-6-18-21(19-7-2,20-8-3)12-10-9-11-17-13(16)14(4,5)15/h6-12H2,1-5H3
InChIKeyRIFVNKPIAVCMKW-UHFFFAOYSA-N
XLogP3.53
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.53
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

11-(3-triethoxysilylpropylsulfanyl)undecyl 2-bromo-2-methylpropanoate
CID 123688738
iodomethylphosphanide;2-iodo-2-methylpropanenitrile;6-triethoxysilylhexyl 2-bromo-2-methylpropanoate;6-triethoxysilylhexyl 2-iodo-2-methylpropanoate
CID 162001290
4-triethoxysilylbutyl propanoate
CID 141347796
undecyl 2-bromo-2-methylpropanoate
CID 87551125
octadecyl 2-bromo-2-methylpropanoate
CID 71310893
2,2-dimethylbutanoic acid;methane;3-triethoxysilylpropyl 2,2-dimethylbutanoate
CID 158924041
1,9-bis(triethoxysilyl)nonan-5-one
CID 158928265
S-(3-triethoxysilylpropyl) 2-bromo-2-methylpropanethioate
CID 59620759
CID 175569451
CID 175569451
3-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate
CID 139211567
bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate
CID 140673134
3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate
CID 59476731

Frequently Asked Questions

What is the IUPAC name of 4-triethoxysilylbutyl 2-bromo-2-methylpropanoate?
The IUPAC name of 4-triethoxysilylbutyl 2-bromo-2-methylpropanoate (CID 71424824) is 4-triethoxysilylbutyl 2-bromo-2-methylpropanoate.
What is the SMILES notation for 4-triethoxysilylbutyl 2-bromo-2-methylpropanoate?
The canonical SMILES for 4-triethoxysilylbutyl 2-bromo-2-methylpropanoate is CCO[Si](CCCCOC(=O)C(C)(C)Br)(OCC)OCC.
What is the InChIKey of 4-triethoxysilylbutyl 2-bromo-2-methylpropanoate?
The InChIKey is RIFVNKPIAVCMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BrO5Si/c1-6-18-21(19-7-2,20-8-3)12-10-9-11-17-13(16)14(4,5)15/h6-12H2,1-5H3.
What are the key properties of 4-triethoxysilylbutyl 2-bromo-2-methylpropanoate?
4-triethoxysilylbutyl 2-bromo-2-methylpropanoate has a molecular weight of 385.37 g/mol, XLogP of 3.53, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethoxysilylbutyl 2-bromo-2-methylpropanoate is sourced from PubChem (CID 71424824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).