(5-bromo-2-methylpentan-2-yl)oxy-triethylsilane

C12H27BrOSi — CID 22016802

IUPAC(5-bromo-2-methylpentan-2-yl)oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C)(C)CCCBr
InChIInChI=1S/C12H27BrOSi/c1-6-15(7-2,8-3)14-12(4,5)10-9-11-13/h6-11H2,1-5H3
InChIKeyJXEYZMHTTVEGKA-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.96
Rot. Bonds8

About (5-bromo-2-methylpentan-2-yl)oxy-triethylsilane

(5-bromo-2-methylpentan-2-yl)oxy-triethylsilane (PubChem CID 22016802) has the molecular formula C12H27BrOSi and a molecular weight of 295.34 g/mol. Its IUPAC name is (5-bromo-2-methylpentan-2-yl)oxy-triethylsilane.

Molecular Properties

Compound Name(5-bromo-2-methylpentan-2-yl)oxy-triethylsilane
PubChem CID22016802
Molecular FormulaC12H27BrOSi
Molecular Weight295.34 g/mol
Exact Mass294.10
IUPAC Name(5-bromo-2-methylpentan-2-yl)oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C)(C)CCCBr
InChIInChI=1S/C12H27BrOSi/c1-6-15(7-2,8-3)14-12(4,5)10-9-11-13/h6-11H2,1-5H3
InChIKeyJXEYZMHTTVEGKA-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (5-bromo-2-methylpentan-2-yl)oxy-triethylsilane?
The IUPAC name of (5-bromo-2-methylpentan-2-yl)oxy-triethylsilane (CID 22016802) is (5-bromo-2-methylpentan-2-yl)oxy-triethylsilane.
What is the SMILES notation for (5-bromo-2-methylpentan-2-yl)oxy-triethylsilane?
The canonical SMILES for (5-bromo-2-methylpentan-2-yl)oxy-triethylsilane is CC[Si](CC)(CC)OC(C)(C)CCCBr.
What is the InChIKey of (5-bromo-2-methylpentan-2-yl)oxy-triethylsilane?
The InChIKey is JXEYZMHTTVEGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BrOSi/c1-6-15(7-2,8-3)14-12(4,5)10-9-11-13/h6-11H2,1-5H3.
What are the key properties of (5-bromo-2-methylpentan-2-yl)oxy-triethylsilane?
(5-bromo-2-methylpentan-2-yl)oxy-triethylsilane has a molecular weight of 295.34 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylpentan-2-yl)oxy-triethylsilane is sourced from PubChem (CID 22016802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).