3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate

C10H21BrO3Si — CID 59476731

IUPAC3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate
SMILESCO[Si](C)(C)CCCOC(=O)C(C)(C)Br
InChIInChI=1S/C10H21BrO3Si/c1-10(2,11)9(12)14-7-6-8-15(4,5)13-3/h6-8H2,1-5H3
InChIKeyPTOJGUMZHSIDMC-UHFFFAOYSA-N
MW297.26 g/mol
LogP2.94
Rot. Bonds6

About 3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate

3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate (PubChem CID 59476731) has the molecular formula C10H21BrO3Si and a molecular weight of 297.26 g/mol. Its IUPAC name is 3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate.

Molecular Properties

Compound Name3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate
PubChem CID59476731
Molecular FormulaC10H21BrO3Si
Molecular Weight297.26 g/mol
Exact Mass296.04
IUPAC Name3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate
SMILESCO[Si](C)(C)CCCOC(=O)C(C)(C)Br
InChIInChI=1S/C10H21BrO3Si/c1-10(2,11)9(12)14-7-6-8-15(4,5)13-3/h6-8H2,1-5H3
InChIKeyPTOJGUMZHSIDMC-UHFFFAOYSA-N
XLogP2.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate
CID 139211567
undecyl 2-bromo-2-methylpropanoate
CID 87551125
octadecyl 2-bromo-2-methylpropanoate
CID 71310893
4-triethoxysilylbutyl 2-bromo-2-methylpropanoate
CID 71424824
3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate
CID 158260593
chloro(dimethyl)silane;prop-2-enyl 2-bromo-2-methylpropanoate;3-trimethylsilylpropyl 2-bromo-2-methylpropanoate
CID 160691888
3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;3-[methoxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 87862843
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate
CID 11038281
CID 175569451
CID 175569451
3-[bromo(dimethoxy)silyl]propyl 2,2,2-trifluoroacetate
CID 87294168
3-[4,4-dimethylpentan-2-yloxy(dimethyl)silyl]propyl 2,2-dimethylpropanoate
CID 58275988
11-[methoxy(dimethyl)silyl]undecyl 2-methylprop-2-enoate
CID 142567351

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate?
The IUPAC name of 3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate (CID 59476731) is 3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate.
What is the SMILES notation for 3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate?
The canonical SMILES for 3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate is CO[Si](C)(C)CCCOC(=O)C(C)(C)Br.
What is the InChIKey of 3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate?
The InChIKey is PTOJGUMZHSIDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO3Si/c1-10(2,11)9(12)14-7-6-8-15(4,5)13-3/h6-8H2,1-5H3.
What are the key properties of 3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate?
3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate has a molecular weight of 297.26 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate is sourced from PubChem (CID 59476731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).