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

C9H21BrOSi — CID 15507998

IUPAC(5-bromo-2-methylpentan-2-yl)oxy-trimethylsilane
SMILESCC(C)(CCCBr)O[Si](C)(C)C
InChIInChI=1S/C9H21BrOSi/c1-9(2,7-6-8-10)11-12(3,4)5/h6-8H2,1-5H3
InChIKeyHJPWPVAIOLMGHG-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.79
Rot. Bonds5

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

(5-bromo-2-methylpentan-2-yl)oxy-trimethylsilane (PubChem CID 15507998) has the molecular formula C9H21BrOSi and a molecular weight of 253.26 g/mol. Its IUPAC name is (5-bromo-2-methylpentan-2-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(5-bromo-2-methylpentan-2-yl)oxy-trimethylsilane
PubChem CID15507998
Molecular FormulaC9H21BrOSi
Molecular Weight253.26 g/mol
Exact Mass252.05
IUPAC Name(5-bromo-2-methylpentan-2-yl)oxy-trimethylsilane
SMILESCC(C)(CCCBr)O[Si](C)(C)C
InChIInChI=1S/C9H21BrOSi/c1-9(2,7-6-8-10)11-12(3,4)5/h6-8H2,1-5H3
InChIKeyHJPWPVAIOLMGHG-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.79
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-trimethylsilane?
The IUPAC name of (5-bromo-2-methylpentan-2-yl)oxy-trimethylsilane (CID 15507998) is (5-bromo-2-methylpentan-2-yl)oxy-trimethylsilane.
What is the SMILES notation for (5-bromo-2-methylpentan-2-yl)oxy-trimethylsilane?
The canonical SMILES for (5-bromo-2-methylpentan-2-yl)oxy-trimethylsilane is CC(C)(CCCBr)O[Si](C)(C)C.
What is the InChIKey of (5-bromo-2-methylpentan-2-yl)oxy-trimethylsilane?
The InChIKey is HJPWPVAIOLMGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BrOSi/c1-9(2,7-6-8-10)11-12(3,4)5/h6-8H2,1-5H3.
What are the key properties of (5-bromo-2-methylpentan-2-yl)oxy-trimethylsilane?
(5-bromo-2-methylpentan-2-yl)oxy-trimethylsilane has a molecular weight of 253.26 g/mol, XLogP of 3.79, 5 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-trimethylsilane is sourced from PubChem (CID 15507998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).