tert-butyl-(4,4-dibromobut-3-en-2-yl)-dimethylsilane

C10H20Br2Si — CID 10871160

IUPACtert-butyl-(4,4-dibromobut-3-en-2-yl)-dimethylsilane
SMILESCC(C=C(Br)Br)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20Br2Si/c1-8(7-9(11)12)13(5,6)10(2,3)4/h7-8H,1-6H3
InChIKeyDYPLRQYYKKHUGZ-UHFFFAOYSA-N
MW328.16 g/mol
LogP5.52
Rot. Bonds2

About tert-butyl-(4,4-dibromobut-3-en-2-yl)-dimethylsilane

tert-butyl-(4,4-dibromobut-3-en-2-yl)-dimethylsilane (PubChem CID 10871160) has the molecular formula C10H20Br2Si and a molecular weight of 328.16 g/mol. Its IUPAC name is tert-butyl-(4,4-dibromobut-3-en-2-yl)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4,4-dibromobut-3-en-2-yl)-dimethylsilane
PubChem CID10871160
Molecular FormulaC10H20Br2Si
Molecular Weight328.16 g/mol
Exact Mass325.97
IUPAC Nametert-butyl-(4,4-dibromobut-3-en-2-yl)-dimethylsilane
SMILESCC(C=C(Br)Br)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20Br2Si/c1-8(7-9(11)12)13(5,6)10(2,3)4/h7-8H,1-6H3
InChIKeyDYPLRQYYKKHUGZ-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.16
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 tert-butyl-(4,4-dibromobut-3-en-2-yl)-dimethylsilane?
The IUPAC name of tert-butyl-(4,4-dibromobut-3-en-2-yl)-dimethylsilane (CID 10871160) is tert-butyl-(4,4-dibromobut-3-en-2-yl)-dimethylsilane.
What is the SMILES notation for tert-butyl-(4,4-dibromobut-3-en-2-yl)-dimethylsilane?
The canonical SMILES for tert-butyl-(4,4-dibromobut-3-en-2-yl)-dimethylsilane is CC(C=C(Br)Br)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(4,4-dibromobut-3-en-2-yl)-dimethylsilane?
The InChIKey is DYPLRQYYKKHUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Br2Si/c1-8(7-9(11)12)13(5,6)10(2,3)4/h7-8H,1-6H3.
What are the key properties of tert-butyl-(4,4-dibromobut-3-en-2-yl)-dimethylsilane?
tert-butyl-(4,4-dibromobut-3-en-2-yl)-dimethylsilane has a molecular weight of 328.16 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4,4-dibromobut-3-en-2-yl)-dimethylsilane is sourced from PubChem (CID 10871160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).