[(E)-6-bromohex-3-enoxy]-tert-butyl-dimethylsilane

C12H25BrOSi — CID 10870085

IUPAC[(E)-6-bromohex-3-enoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC/C=C/CCBr
InChIInChI=1S/C12H25BrOSi/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h6-7H,8-11H2,1-5H3/b7-6+
InChIKeyYFWOATUFCSIEGP-VOTSOKGWSA-N
MW293.32 g/mol
LogP4.74
Rot. Bonds6

About [(E)-6-bromohex-3-enoxy]-tert-butyl-dimethylsilane

[(E)-6-bromohex-3-enoxy]-tert-butyl-dimethylsilane (PubChem CID 10870085) has the molecular formula C12H25BrOSi and a molecular weight of 293.32 g/mol. Its IUPAC name is [(E)-6-bromohex-3-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E)-6-bromohex-3-enoxy]-tert-butyl-dimethylsilane
PubChem CID10870085
Molecular FormulaC12H25BrOSi
Molecular Weight293.32 g/mol
Exact Mass292.09
IUPAC Name[(E)-6-bromohex-3-enoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC/C=C/CCBr
InChIInChI=1S/C12H25BrOSi/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h6-7H,8-11H2,1-5H3/b7-6+
InChIKeyYFWOATUFCSIEGP-VOTSOKGWSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-6-bromohex-3-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(E)-6-bromohex-3-enoxy]-tert-butyl-dimethylsilane (CID 10870085) is [(E)-6-bromohex-3-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E)-6-bromohex-3-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E)-6-bromohex-3-enoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC/C=C/CCBr.
What is the InChIKey of [(E)-6-bromohex-3-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is YFWOATUFCSIEGP-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H25BrOSi/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h6-7H,8-11H2,1-5H3/b7-6+.
What are the key properties of [(E)-6-bromohex-3-enoxy]-tert-butyl-dimethylsilane?
[(E)-6-bromohex-3-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 293.32 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-bromohex-3-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10870085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).