triethylsilyl 4-bromobutanoate

C10H21BrO2Si — CID 10945872

IUPACtriethylsilyl 4-bromobutanoate
SMILESCC[Si](CC)(CC)OC(=O)CCCBr
InChIInChI=1S/C10H21BrO2Si/c1-4-14(5-2,6-3)13-10(12)8-7-9-11/h4-9H2,1-3H3
InChIKeyMVKWMKJOTQRALQ-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.71
Rot. Bonds7

About triethylsilyl 4-bromobutanoate

triethylsilyl 4-bromobutanoate (PubChem CID 10945872) has the molecular formula C10H21BrO2Si and a molecular weight of 281.27 g/mol. Its IUPAC name is triethylsilyl 4-bromobutanoate.

Molecular Properties

Compound Nametriethylsilyl 4-bromobutanoate
PubChem CID10945872
Molecular FormulaC10H21BrO2Si
Molecular Weight281.27 g/mol
Exact Mass280.05
IUPAC Nametriethylsilyl 4-bromobutanoate
SMILESCC[Si](CC)(CC)OC(=O)CCCBr
InChIInChI=1S/C10H21BrO2Si/c1-4-14(5-2,6-3)13-10(12)8-7-9-11/h4-9H2,1-3H3
InChIKeyMVKWMKJOTQRALQ-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 triethylsilyl 4-bromobutanoate?
The IUPAC name of triethylsilyl 4-bromobutanoate (CID 10945872) is triethylsilyl 4-bromobutanoate.
What is the SMILES notation for triethylsilyl 4-bromobutanoate?
The canonical SMILES for triethylsilyl 4-bromobutanoate is CC[Si](CC)(CC)OC(=O)CCCBr.
What is the InChIKey of triethylsilyl 4-bromobutanoate?
The InChIKey is MVKWMKJOTQRALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO2Si/c1-4-14(5-2,6-3)13-10(12)8-7-9-11/h4-9H2,1-3H3.
What are the key properties of triethylsilyl 4-bromobutanoate?
triethylsilyl 4-bromobutanoate has a molecular weight of 281.27 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 4-bromobutanoate is sourced from PubChem (CID 10945872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).