1-bromo-3-chloro-1,3-dimethyl-1,3-disiletane

C4H10BrClSi2 — CID 140841142

IUPAC1-bromo-3-chloro-1,3-dimethyl-1,3-disiletane
SMILESC[Si]1(Cl)C[Si](C)(Br)C1
InChIInChI=1S/C4H10BrClSi2/c1-7(5)3-8(2,6)4-7/h3-4H2,1-2H3
InChIKeyFBISNAYOKKPQPO-UHFFFAOYSA-N
MW229.65 g/mol
LogP2.86
Rot. Bonds

About 1-bromo-3-chloro-1,3-dimethyl-1,3-disiletane

1-bromo-3-chloro-1,3-dimethyl-1,3-disiletane (PubChem CID 140841142) has the molecular formula C4H10BrClSi2 and a molecular weight of 229.65 g/mol. Its IUPAC name is 1-bromo-3-chloro-1,3-dimethyl-1,3-disiletane.

Molecular Properties

Compound Name1-bromo-3-chloro-1,3-dimethyl-1,3-disiletane
PubChem CID140841142
Molecular FormulaC4H10BrClSi2
Molecular Weight229.65 g/mol
Exact Mass227.92
IUPAC Name1-bromo-3-chloro-1,3-dimethyl-1,3-disiletane
SMILESC[Si]1(Cl)C[Si](C)(Br)C1
InChIInChI=1S/C4H10BrClSi2/c1-7(5)3-8(2,6)4-7/h3-4H2,1-2H3
InChIKeyFBISNAYOKKPQPO-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.65
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-1,3-dimethyl-1,3-disiletane?
The IUPAC name of 1-bromo-3-chloro-1,3-dimethyl-1,3-disiletane (CID 140841142) is 1-bromo-3-chloro-1,3-dimethyl-1,3-disiletane.
What is the SMILES notation for 1-bromo-3-chloro-1,3-dimethyl-1,3-disiletane?
The canonical SMILES for 1-bromo-3-chloro-1,3-dimethyl-1,3-disiletane is C[Si]1(Cl)C[Si](C)(Br)C1.
What is the InChIKey of 1-bromo-3-chloro-1,3-dimethyl-1,3-disiletane?
The InChIKey is FBISNAYOKKPQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BrClSi2/c1-7(5)3-8(2,6)4-7/h3-4H2,1-2H3.
What are the key properties of 1-bromo-3-chloro-1,3-dimethyl-1,3-disiletane?
1-bromo-3-chloro-1,3-dimethyl-1,3-disiletane has a molecular weight of 229.65 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-1,3-dimethyl-1,3-disiletane is sourced from PubChem (CID 140841142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).