chloro-(3-chlorobutyl)-dimethylsilane

C6H14Cl2Si — CID 22227198

IUPACchloro-(3-chlorobutyl)-dimethylsilane
SMILESCC(Cl)CC[Si](C)(C)Cl
InChIInChI=1S/C6H14Cl2Si/c1-6(7)4-5-9(2,3)8/h6H,4-5H2,1-3H3
InChIKeyJZVRNKZNWATVDB-UHFFFAOYSA-N
MW185.17 g/mol
LogP3.45
Rot. Bonds3

About chloro-(3-chlorobutyl)-dimethylsilane

chloro-(3-chlorobutyl)-dimethylsilane (PubChem CID 22227198) has the molecular formula C6H14Cl2Si and a molecular weight of 185.17 g/mol. Its IUPAC name is chloro-(3-chlorobutyl)-dimethylsilane.

Molecular Properties

Compound Namechloro-(3-chlorobutyl)-dimethylsilane
PubChem CID22227198
Molecular FormulaC6H14Cl2Si
Molecular Weight185.17 g/mol
Exact Mass184.02
IUPAC Namechloro-(3-chlorobutyl)-dimethylsilane
SMILESCC(Cl)CC[Si](C)(C)Cl
InChIInChI=1S/C6H14Cl2Si/c1-6(7)4-5-9(2,3)8/h6H,4-5H2,1-3H3
InChIKeyJZVRNKZNWATVDB-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 chloro-(3-chlorobutyl)-dimethylsilane?
The IUPAC name of chloro-(3-chlorobutyl)-dimethylsilane (CID 22227198) is chloro-(3-chlorobutyl)-dimethylsilane.
What is the SMILES notation for chloro-(3-chlorobutyl)-dimethylsilane?
The canonical SMILES for chloro-(3-chlorobutyl)-dimethylsilane is CC(Cl)CC[Si](C)(C)Cl.
What is the InChIKey of chloro-(3-chlorobutyl)-dimethylsilane?
The InChIKey is JZVRNKZNWATVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14Cl2Si/c1-6(7)4-5-9(2,3)8/h6H,4-5H2,1-3H3.
What are the key properties of chloro-(3-chlorobutyl)-dimethylsilane?
chloro-(3-chlorobutyl)-dimethylsilane has a molecular weight of 185.17 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(3-chlorobutyl)-dimethylsilane is sourced from PubChem (CID 22227198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).