[1-(1-bromopropoxy)-2-methylpropan-2-yl]-dimethylsilane

C9H21BrOSi — CID 173182737

IUPAC[1-(1-bromopropoxy)-2-methylpropan-2-yl]-dimethylsilane
SMILESCCC(Br)OCC(C)(C)[SiH](C)C
InChIInChI=1S/C9H21BrOSi/c1-6-8(10)11-7-9(2,3)12(4)5/h8,12H,6-7H2,1-5H3
InChIKeyMWXCDMJRHRWNKU-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.40
Rot. Bonds5

About [1-(1-bromopropoxy)-2-methylpropan-2-yl]-dimethylsilane

[1-(1-bromopropoxy)-2-methylpropan-2-yl]-dimethylsilane (PubChem CID 173182737) has the molecular formula C9H21BrOSi and a molecular weight of 253.26 g/mol. Its IUPAC name is [1-(1-bromopropoxy)-2-methylpropan-2-yl]-dimethylsilane.

Molecular Properties

Compound Name[1-(1-bromopropoxy)-2-methylpropan-2-yl]-dimethylsilane
PubChem CID173182737
Molecular FormulaC9H21BrOSi
Molecular Weight253.26 g/mol
Exact Mass252.05
IUPAC Name[1-(1-bromopropoxy)-2-methylpropan-2-yl]-dimethylsilane
SMILESCCC(Br)OCC(C)(C)[SiH](C)C
InChIInChI=1S/C9H21BrOSi/c1-6-8(10)11-7-9(2,3)12(4)5/h8,12H,6-7H2,1-5H3
InChIKeyMWXCDMJRHRWNKU-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
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 [1-(1-bromopropoxy)-2-methylpropan-2-yl]-dimethylsilane?
The IUPAC name of [1-(1-bromopropoxy)-2-methylpropan-2-yl]-dimethylsilane (CID 173182737) is [1-(1-bromopropoxy)-2-methylpropan-2-yl]-dimethylsilane.
What is the SMILES notation for [1-(1-bromopropoxy)-2-methylpropan-2-yl]-dimethylsilane?
The canonical SMILES for [1-(1-bromopropoxy)-2-methylpropan-2-yl]-dimethylsilane is CCC(Br)OCC(C)(C)[SiH](C)C.
What is the InChIKey of [1-(1-bromopropoxy)-2-methylpropan-2-yl]-dimethylsilane?
The InChIKey is MWXCDMJRHRWNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BrOSi/c1-6-8(10)11-7-9(2,3)12(4)5/h8,12H,6-7H2,1-5H3.
What are the key properties of [1-(1-bromopropoxy)-2-methylpropan-2-yl]-dimethylsilane?
[1-(1-bromopropoxy)-2-methylpropan-2-yl]-dimethylsilane has a molecular weight of 253.26 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-bromopropoxy)-2-methylpropan-2-yl]-dimethylsilane is sourced from PubChem (CID 173182737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).