tert-butyl-[(2S)-4,4-dibromobut-3-en-2-yl]oxy-dimethylsilane

C10H20Br2OSi — CID 11078434

IUPACtert-butyl-[(2S)-4,4-dibromobut-3-en-2-yl]oxy-dimethylsilane
SMILESC[C@@H](C=C(Br)Br)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20Br2OSi/c1-8(7-9(11)12)13-14(5,6)10(2,3)4/h7-8H,1-6H3/t8-/m0/s1
InChIKeySXXAYTUOMLBKBN-QMMMGPOBSA-N
MW344.16 g/mol
LogP5.03
Rot. Bonds3

About tert-butyl-[(2S)-4,4-dibromobut-3-en-2-yl]oxy-dimethylsilane

tert-butyl-[(2S)-4,4-dibromobut-3-en-2-yl]oxy-dimethylsilane (PubChem CID 11078434) has the molecular formula C10H20Br2OSi and a molecular weight of 344.16 g/mol. Its IUPAC name is tert-butyl-[(2S)-4,4-dibromobut-3-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-4,4-dibromobut-3-en-2-yl]oxy-dimethylsilane
PubChem CID11078434
Molecular FormulaC10H20Br2OSi
Molecular Weight344.16 g/mol
Exact Mass341.97
IUPAC Nametert-butyl-[(2S)-4,4-dibromobut-3-en-2-yl]oxy-dimethylsilane
SMILESC[C@@H](C=C(Br)Br)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20Br2OSi/c1-8(7-9(11)12)13-14(5,6)10(2,3)4/h7-8H,1-6H3/t8-/m0/s1
InChIKeySXXAYTUOMLBKBN-QMMMGPOBSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.16
LogP ≤ 55.03
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 tert-butyl-[(2S)-4,4-dibromobut-3-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-4,4-dibromobut-3-en-2-yl]oxy-dimethylsilane (CID 11078434) is tert-butyl-[(2S)-4,4-dibromobut-3-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-4,4-dibromobut-3-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-4,4-dibromobut-3-en-2-yl]oxy-dimethylsilane is C[C@@H](C=C(Br)Br)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S)-4,4-dibromobut-3-en-2-yl]oxy-dimethylsilane?
The InChIKey is SXXAYTUOMLBKBN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20Br2OSi/c1-8(7-9(11)12)13-14(5,6)10(2,3)4/h7-8H,1-6H3/t8-/m0/s1.
What are the key properties of tert-butyl-[(2S)-4,4-dibromobut-3-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S)-4,4-dibromobut-3-en-2-yl]oxy-dimethylsilane has a molecular weight of 344.16 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-4,4-dibromobut-3-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11078434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).