(1-bromo-1-fluorohex-5-enyl)-tert-butyl-dimethylsilane

C12H24BrFSi — CID 15314728

IUPAC(1-bromo-1-fluorohex-5-enyl)-tert-butyl-dimethylsilane
SMILESC=CCCCC(F)(Br)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24BrFSi/c1-7-8-9-10-12(13,14)15(5,6)11(2,3)4/h7H,1,8-10H2,2-6H3
InChIKeyCWPYUKPKRQDBED-UHFFFAOYSA-N
MW295.31 g/mol
LogP5.45
Rot. Bonds5

About (1-bromo-1-fluorohex-5-enyl)-tert-butyl-dimethylsilane

(1-bromo-1-fluorohex-5-enyl)-tert-butyl-dimethylsilane (PubChem CID 15314728) has the molecular formula C12H24BrFSi and a molecular weight of 295.31 g/mol. Its IUPAC name is (1-bromo-1-fluorohex-5-enyl)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(1-bromo-1-fluorohex-5-enyl)-tert-butyl-dimethylsilane
PubChem CID15314728
Molecular FormulaC12H24BrFSi
Molecular Weight295.31 g/mol
Exact Mass294.08
IUPAC Name(1-bromo-1-fluorohex-5-enyl)-tert-butyl-dimethylsilane
SMILESC=CCCCC(F)(Br)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24BrFSi/c1-7-8-9-10-12(13,14)15(5,6)11(2,3)4/h7H,1,8-10H2,2-6H3
InChIKeyCWPYUKPKRQDBED-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.31
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Related Compounds

(1-Bromo-1-fluorobut-3-enyl)-tert-butyl-dimethylsilane
CID 15314721
8-Bromoocta-2,3-dien-2-yl-tert-butyl-dimethylsilane
CID 85575667
6-Bromohex-1-ene;hex-5-enyl(dimethyl)silane
CID 161313835
5-Bromopent-1-en-3-yl(trimethyl)silane
CID 14418660

Frequently Asked Questions

What is the IUPAC name of (1-bromo-1-fluorohex-5-enyl)-tert-butyl-dimethylsilane?
The IUPAC name of (1-bromo-1-fluorohex-5-enyl)-tert-butyl-dimethylsilane (CID 15314728) is (1-bromo-1-fluorohex-5-enyl)-tert-butyl-dimethylsilane.
What is the SMILES notation for (1-bromo-1-fluorohex-5-enyl)-tert-butyl-dimethylsilane?
The canonical SMILES for (1-bromo-1-fluorohex-5-enyl)-tert-butyl-dimethylsilane is C=CCCCC(F)(Br)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1-bromo-1-fluorohex-5-enyl)-tert-butyl-dimethylsilane?
The InChIKey is CWPYUKPKRQDBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrFSi/c1-7-8-9-10-12(13,14)15(5,6)11(2,3)4/h7H,1,8-10H2,2-6H3.
What are the key properties of (1-bromo-1-fluorohex-5-enyl)-tert-butyl-dimethylsilane?
(1-bromo-1-fluorohex-5-enyl)-tert-butyl-dimethylsilane has a molecular weight of 295.31 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-1-fluorohex-5-enyl)-tert-butyl-dimethylsilane is sourced from PubChem (CID 15314728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).