[(E)-2-bromohex-2-enoxy]-tert-butyl-dimethylsilane

C12H25BrOSi — CID 139030430

IUPAC[(E)-2-bromohex-2-enoxy]-tert-butyl-dimethylsilane
SMILESCCC/C=C(/Br)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25BrOSi/c1-7-8-9-11(13)10-14-15(5,6)12(2,3)4/h9H,7-8,10H2,1-6H3/b11-9+
InChIKeyUFTOPSNHEFCSJI-PKNBQFBNSA-N
MW293.32 g/mol
LogP5.09
Rot. Bonds5

About [(E)-2-bromohex-2-enoxy]-tert-butyl-dimethylsilane

[(E)-2-bromohex-2-enoxy]-tert-butyl-dimethylsilane (PubChem CID 139030430) has the molecular formula C12H25BrOSi and a molecular weight of 293.32 g/mol. Its IUPAC name is [(E)-2-bromohex-2-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E)-2-bromohex-2-enoxy]-tert-butyl-dimethylsilane
PubChem CID139030430
Molecular FormulaC12H25BrOSi
Molecular Weight293.32 g/mol
Exact Mass292.09
IUPAC Name[(E)-2-bromohex-2-enoxy]-tert-butyl-dimethylsilane
SMILESCCC/C=C(/Br)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25BrOSi/c1-7-8-9-11(13)10-14-15(5,6)12(2,3)4/h9H,7-8,10H2,1-6H3/b11-9+
InChIKeyUFTOPSNHEFCSJI-PKNBQFBNSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.32
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-bromohex-2-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(E)-2-bromohex-2-enoxy]-tert-butyl-dimethylsilane (CID 139030430) is [(E)-2-bromohex-2-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E)-2-bromohex-2-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E)-2-bromohex-2-enoxy]-tert-butyl-dimethylsilane is CCC/C=C(/Br)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-2-bromohex-2-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is UFTOPSNHEFCSJI-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H25BrOSi/c1-7-8-9-11(13)10-14-15(5,6)12(2,3)4/h9H,7-8,10H2,1-6H3/b11-9+.
What are the key properties of [(E)-2-bromohex-2-enoxy]-tert-butyl-dimethylsilane?
[(E)-2-bromohex-2-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 293.32 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-bromohex-2-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 139030430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).