(5-bromo-2-fluoropent-2-enoxy)-tert-butyl-dimethylsilane

C11H22BrFOSi — CID 75585836

IUPAC(5-bromo-2-fluoropent-2-enoxy)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(F)=CCCBr
InChIInChI=1S/C11H22BrFOSi/c1-11(2,3)15(4,5)14-9-10(13)7-6-8-12/h7H,6,8-9H2,1-5H3
InChIKeyXMZVXNCASQEMOL-UHFFFAOYSA-N
MW297.28 g/mol
LogP4.65
Rot. Bonds5

About (5-bromo-2-fluoropent-2-enoxy)-tert-butyl-dimethylsilane

(5-bromo-2-fluoropent-2-enoxy)-tert-butyl-dimethylsilane (PubChem CID 75585836) has the molecular formula C11H22BrFOSi and a molecular weight of 297.28 g/mol. Its IUPAC name is (5-bromo-2-fluoropent-2-enoxy)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(5-bromo-2-fluoropent-2-enoxy)-tert-butyl-dimethylsilane
PubChem CID75585836
Molecular FormulaC11H22BrFOSi
Molecular Weight297.28 g/mol
Exact Mass296.06
IUPAC Name(5-bromo-2-fluoropent-2-enoxy)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(F)=CCCBr
InChIInChI=1S/C11H22BrFOSi/c1-11(2,3)15(4,5)14-9-10(13)7-6-8-12/h7H,6,8-9H2,1-5H3
InChIKeyXMZVXNCASQEMOL-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 54.65
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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Related Compounds

[(E)-5-bromo-2-fluoropent-2-enoxy]-tert-butyl-dimethylsilane
CID 50938550
tert-butyl-[(E)-2-fluorohex-2-enoxy]-dimethylsilane
CID 89381528
(6-Bromo-4,5-difluorocyclohexa-1,4-dien-1-yl)methoxy-tri(propan-2-yl)silane
CID 123156800
tert-butyl-[(E)-2,7-dibromohept-2-enoxy]-dimethylsilane
CID 138984666
(E)-((2-bromohex-2-en-1-yl)oxy)(tert-butyl)dimethylsilane
CID 139030430
tert-butyl-[(E)-2,5-dibromopent-2-enoxy]-dimethylsilane
CID 155934177
[(Z)-5-bromo-2-methylpent-2-enoxy]-tert-butyl-dimethylsilane
CID 19349106
(6-Bromo-3-methylhex-2-enoxy)-trimethylsilane
CID 54437234
(5-Bromo-2-methylpent-2-enoxy)-tert-butyl-dimethylsilane
CID 57073142
[(E)-4-bromo-2-ethylbut-2-enoxy]-tert-butyl-dimethylsilane
CID 58703053
(4-Bromo-2-ethylbut-2-enoxy)-tert-butyl-dimethylsilane
CID 72396077
{[(2E)-5-Bromo-2-methyl-2-pentenyl]oxy}(tert-butyl)dimethylsilane
CID 88148805

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluoropent-2-enoxy)-tert-butyl-dimethylsilane?
The IUPAC name of (5-bromo-2-fluoropent-2-enoxy)-tert-butyl-dimethylsilane (CID 75585836) is (5-bromo-2-fluoropent-2-enoxy)-tert-butyl-dimethylsilane.
What is the SMILES notation for (5-bromo-2-fluoropent-2-enoxy)-tert-butyl-dimethylsilane?
The canonical SMILES for (5-bromo-2-fluoropent-2-enoxy)-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC(F)=CCCBr.
What is the InChIKey of (5-bromo-2-fluoropent-2-enoxy)-tert-butyl-dimethylsilane?
The InChIKey is XMZVXNCASQEMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrFOSi/c1-11(2,3)15(4,5)14-9-10(13)7-6-8-12/h7H,6,8-9H2,1-5H3.
What are the key properties of (5-bromo-2-fluoropent-2-enoxy)-tert-butyl-dimethylsilane?
(5-bromo-2-fluoropent-2-enoxy)-tert-butyl-dimethylsilane has a molecular weight of 297.28 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluoropent-2-enoxy)-tert-butyl-dimethylsilane is sourced from PubChem (CID 75585836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).