2-chloroethyl-diethoxy-methylsilane

C7H17ClO2Si — CID 22227204

IUPAC2-chloroethyl-diethoxy-methylsilane
SMILESCCO[Si](C)(CCCl)OCC
InChIInChI=1S/C7H17ClO2Si/c1-4-9-11(3,7-6-8)10-5-2/h4-7H2,1-3H3
InChIKeyPZTIZDBYLCQIEI-UHFFFAOYSA-N
MW196.75 g/mol
LogP2.37
Rot. Bonds6

About 2-chloroethyl-diethoxy-methylsilane

2-chloroethyl-diethoxy-methylsilane (PubChem CID 22227204) has the molecular formula C7H17ClO2Si and a molecular weight of 196.75 g/mol. Its IUPAC name is 2-chloroethyl-diethoxy-methylsilane.

Molecular Properties

Compound Name2-chloroethyl-diethoxy-methylsilane
PubChem CID22227204
Molecular FormulaC7H17ClO2Si
Molecular Weight196.75 g/mol
Exact Mass196.07
IUPAC Name2-chloroethyl-diethoxy-methylsilane
SMILESCCO[Si](C)(CCCl)OCC
InChIInChI=1S/C7H17ClO2Si/c1-4-9-11(3,7-6-8)10-5-2/h4-7H2,1-3H3
InChIKeyPZTIZDBYLCQIEI-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.75
LogP ≤ 52.37
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 2-chloroethyl-diethoxy-methylsilane?
The IUPAC name of 2-chloroethyl-diethoxy-methylsilane (CID 22227204) is 2-chloroethyl-diethoxy-methylsilane.
What is the SMILES notation for 2-chloroethyl-diethoxy-methylsilane?
The canonical SMILES for 2-chloroethyl-diethoxy-methylsilane is CCO[Si](C)(CCCl)OCC.
What is the InChIKey of 2-chloroethyl-diethoxy-methylsilane?
The InChIKey is PZTIZDBYLCQIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClO2Si/c1-4-9-11(3,7-6-8)10-5-2/h4-7H2,1-3H3.
What are the key properties of 2-chloroethyl-diethoxy-methylsilane?
2-chloroethyl-diethoxy-methylsilane has a molecular weight of 196.75 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl-diethoxy-methylsilane is sourced from PubChem (CID 22227204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).