2-chloroethoxy-(chloromethyl)-dimethylsilane

C5H12Cl2OSi — CID 87577029

IUPAC2-chloroethoxy-(chloromethyl)-dimethylsilane
SMILESC[Si](C)(CCl)OCCCl
InChIInChI=1S/C5H12Cl2OSi/c1-9(2,5-7)8-4-3-6/h3-5H2,1-2H3
InChIKeyXLZYIWHRGSCNTC-UHFFFAOYSA-N
MW187.14 g/mol
LogP2.22
Rot. Bonds4

About 2-chloroethoxy-(chloromethyl)-dimethylsilane

2-chloroethoxy-(chloromethyl)-dimethylsilane (PubChem CID 87577029) has the molecular formula C5H12Cl2OSi and a molecular weight of 187.14 g/mol. Its IUPAC name is 2-chloroethoxy-(chloromethyl)-dimethylsilane.

Molecular Properties

Compound Name2-chloroethoxy-(chloromethyl)-dimethylsilane
PubChem CID87577029
Molecular FormulaC5H12Cl2OSi
Molecular Weight187.14 g/mol
Exact Mass186.00
IUPAC Name2-chloroethoxy-(chloromethyl)-dimethylsilane
SMILESC[Si](C)(CCl)OCCCl
InChIInChI=1S/C5H12Cl2OSi/c1-9(2,5-7)8-4-3-6/h3-5H2,1-2H3
InChIKeyXLZYIWHRGSCNTC-UHFFFAOYSA-N
XLogP2.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.14
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethoxy-(chloromethyl)-dimethylsilane?
The IUPAC name of 2-chloroethoxy-(chloromethyl)-dimethylsilane (CID 87577029) is 2-chloroethoxy-(chloromethyl)-dimethylsilane.
What is the SMILES notation for 2-chloroethoxy-(chloromethyl)-dimethylsilane?
The canonical SMILES for 2-chloroethoxy-(chloromethyl)-dimethylsilane is C[Si](C)(CCl)OCCCl.
What is the InChIKey of 2-chloroethoxy-(chloromethyl)-dimethylsilane?
The InChIKey is XLZYIWHRGSCNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12Cl2OSi/c1-9(2,5-7)8-4-3-6/h3-5H2,1-2H3.
What are the key properties of 2-chloroethoxy-(chloromethyl)-dimethylsilane?
2-chloroethoxy-(chloromethyl)-dimethylsilane has a molecular weight of 187.14 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethoxy-(chloromethyl)-dimethylsilane is sourced from PubChem (CID 87577029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).