tert-butyl-[(E)-2,5-dibromopent-2-enoxy]-dimethylsilane

C11H22Br2OSi — CID 155934177

IUPACtert-butyl-[(E)-2,5-dibromopent-2-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C(Br)=C\CCBr
InChIInChI=1S/C11H22Br2OSi/c1-11(2,3)15(4,5)14-9-10(13)7-6-8-12/h7H,6,8-9H2,1-5H3/b10-7+
InChIKeyRJAHMBJZXKVTKL-JXMROGBWSA-N
MW358.19 g/mol
LogP5.07
Rot. Bonds5

About tert-butyl-[(E)-2,5-dibromopent-2-enoxy]-dimethylsilane

tert-butyl-[(E)-2,5-dibromopent-2-enoxy]-dimethylsilane (PubChem CID 155934177) has the molecular formula C11H22Br2OSi and a molecular weight of 358.19 g/mol. Its IUPAC name is tert-butyl-[(E)-2,5-dibromopent-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-2,5-dibromopent-2-enoxy]-dimethylsilane
PubChem CID155934177
Molecular FormulaC11H22Br2OSi
Molecular Weight358.19 g/mol
Exact Mass355.98
IUPAC Nametert-butyl-[(E)-2,5-dibromopent-2-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C(Br)=C\CCBr
InChIInChI=1S/C11H22Br2OSi/c1-11(2,3)15(4,5)14-9-10(13)7-6-8-12/h7H,6,8-9H2,1-5H3/b10-7+
InChIKeyRJAHMBJZXKVTKL-JXMROGBWSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.19
LogP ≤ 55.07
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 tert-butyl-[(E)-2,5-dibromopent-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-2,5-dibromopent-2-enoxy]-dimethylsilane (CID 155934177) is tert-butyl-[(E)-2,5-dibromopent-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-2,5-dibromopent-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-2,5-dibromopent-2-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC/C(Br)=C\CCBr.
What is the InChIKey of tert-butyl-[(E)-2,5-dibromopent-2-enoxy]-dimethylsilane?
The InChIKey is RJAHMBJZXKVTKL-JXMROGBWSA-N. The full InChI is InChI=1S/C11H22Br2OSi/c1-11(2,3)15(4,5)14-9-10(13)7-6-8-12/h7H,6,8-9H2,1-5H3/b10-7+.
What are the key properties of tert-butyl-[(E)-2,5-dibromopent-2-enoxy]-dimethylsilane?
tert-butyl-[(E)-2,5-dibromopent-2-enoxy]-dimethylsilane has a molecular weight of 358.19 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-2,5-dibromopent-2-enoxy]-dimethylsilane is sourced from PubChem (CID 155934177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).