2-chloroethoxy-oxido-oxosilane

C2H4ClO3Si- — CID 21320447

IUPAC2-chloroethoxy-oxido-oxosilane
SMILESO=[Si]([O-])OCCCl
InChIInChI=1S/C2H4ClO3Si/c3-1-2-6-7(4)5/h1-2H2/q-1
InChIKeyQUVAZJVBJXQENH-UHFFFAOYSA-N
MW139.59 g/mol
LogP-0.98
Rot. Bonds3

About 2-chloroethoxy-oxido-oxosilane

2-chloroethoxy-oxido-oxosilane (PubChem CID 21320447) has the molecular formula C2H4ClO3Si- and a molecular weight of 139.59 g/mol. Its IUPAC name is 2-chloroethoxy-oxido-oxosilane.

Molecular Properties

Compound Name2-chloroethoxy-oxido-oxosilane
PubChem CID21320447
Molecular FormulaC2H4ClO3Si-
Molecular Weight139.59 g/mol
Exact Mass138.96
IUPAC Name2-chloroethoxy-oxido-oxosilane
SMILESO=[Si]([O-])OCCCl
InChIInChI=1S/C2H4ClO3Si/c3-1-2-6-7(4)5/h1-2H2/q-1
InChIKeyQUVAZJVBJXQENH-UHFFFAOYSA-N
XLogP-0.98
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.59
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-oxido-oxosilane?
The IUPAC name of 2-chloroethoxy-oxido-oxosilane (CID 21320447) is 2-chloroethoxy-oxido-oxosilane.
What is the SMILES notation for 2-chloroethoxy-oxido-oxosilane?
The canonical SMILES for 2-chloroethoxy-oxido-oxosilane is O=[Si]([O-])OCCCl.
What is the InChIKey of 2-chloroethoxy-oxido-oxosilane?
The InChIKey is QUVAZJVBJXQENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClO3Si/c3-1-2-6-7(4)5/h1-2H2/q-1.
What are the key properties of 2-chloroethoxy-oxido-oxosilane?
2-chloroethoxy-oxido-oxosilane has a molecular weight of 139.59 g/mol, XLogP of -0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethoxy-oxido-oxosilane is sourced from PubChem (CID 21320447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).