1-chloroethyl-diethoxy-ethylsilane

C8H19ClO2Si — CID 54412794

IUPAC1-chloroethyl-diethoxy-ethylsilane
SMILESCCO[Si](CC)(OCC)C(C)Cl
InChIInChI=1S/C8H19ClO2Si/c1-5-10-12(7-3,8(4)9)11-6-2/h8H,5-7H2,1-4H3
InChIKeyVVHOUDAIDFFJLZ-UHFFFAOYSA-N
MW210.78 g/mol
LogP2.69
Rot. Bonds6

About 1-chloroethyl-diethoxy-ethylsilane

1-chloroethyl-diethoxy-ethylsilane (PubChem CID 54412794) has the molecular formula C8H19ClO2Si and a molecular weight of 210.78 g/mol. Its IUPAC name is 1-chloroethyl-diethoxy-ethylsilane.

Molecular Properties

Compound Name1-chloroethyl-diethoxy-ethylsilane
PubChem CID54412794
Molecular FormulaC8H19ClO2Si
Molecular Weight210.78 g/mol
Exact Mass210.08
IUPAC Name1-chloroethyl-diethoxy-ethylsilane
SMILESCCO[Si](CC)(OCC)C(C)Cl
InChIInChI=1S/C8H19ClO2Si/c1-5-10-12(7-3,8(4)9)11-6-2/h8H,5-7H2,1-4H3
InChIKeyVVHOUDAIDFFJLZ-UHFFFAOYSA-N
XLogP2.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.78
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-chloroethyl-diethoxy-ethylsilane?
The IUPAC name of 1-chloroethyl-diethoxy-ethylsilane (CID 54412794) is 1-chloroethyl-diethoxy-ethylsilane.
What is the SMILES notation for 1-chloroethyl-diethoxy-ethylsilane?
The canonical SMILES for 1-chloroethyl-diethoxy-ethylsilane is CCO[Si](CC)(OCC)C(C)Cl.
What is the InChIKey of 1-chloroethyl-diethoxy-ethylsilane?
The InChIKey is VVHOUDAIDFFJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19ClO2Si/c1-5-10-12(7-3,8(4)9)11-6-2/h8H,5-7H2,1-4H3.
What are the key properties of 1-chloroethyl-diethoxy-ethylsilane?
1-chloroethyl-diethoxy-ethylsilane has a molecular weight of 210.78 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethyl-diethoxy-ethylsilane is sourced from PubChem (CID 54412794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).