chloro(chloromethyl)-ethoxymethylsilane

C4H9Cl2OSi — CID 86180646

IUPAC—
SMILESCCOC[Si](Cl)CCl
InChIInChI=1S/C4H9Cl2OSi/c1-2-7-4-8(6)3-5/h2-4H2,1H3
InChIKeyANKGBNBSXFVKMC-UHFFFAOYSA-N
MW172.11 g/mol
LogP1.57
Rot. Bonds4

About chloro(chloromethyl)-ethoxymethylsilane

chloro(chloromethyl)-ethoxymethylsilane (PubChem CID 86180646) has the molecular formula C4H9Cl2OSi and a molecular weight of 172.11 g/mol.

Molecular Properties

Compound Namechloro(chloromethyl)-ethoxymethylsilane
PubChem CID86180646
Molecular FormulaC4H9Cl2OSi
Molecular Weight172.11 g/mol
Exact Mass170.98
IUPAC Name—
SMILESCCOC[Si](Cl)CCl
InChIInChI=1S/C4H9Cl2OSi/c1-2-7-4-8(6)3-5/h2-4H2,1H3
InChIKeyANKGBNBSXFVKMC-UHFFFAOYSA-N
XLogP1.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.11
LogP ≤ 51.57
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro(chloromethyl)-ethoxymethylsilane?
The IUPAC name of chloro(chloromethyl)-ethoxymethylsilane (CID 86180646) is not available.
What is the SMILES notation for chloro(chloromethyl)-ethoxymethylsilane?
The canonical SMILES for chloro(chloromethyl)-ethoxymethylsilane is CCOC[Si](Cl)CCl.
What is the InChIKey of chloro(chloromethyl)-ethoxymethylsilane?
The InChIKey is ANKGBNBSXFVKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl2OSi/c1-2-7-4-8(6)3-5/h2-4H2,1H3.
What are the key properties of chloro(chloromethyl)-ethoxymethylsilane?
chloro(chloromethyl)-ethoxymethylsilane has a molecular weight of 172.11 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(chloromethyl)-ethoxymethylsilane is sourced from PubChem (CID 86180646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).