tris(2-chloroethyl) methyl silicate

C7H15Cl3O4Si — CID 174632616

IUPACtris(2-chloroethyl) methyl silicate
SMILESCO[Si](OCCCl)(OCCCl)OCCCl
InChIInChI=1S/C7H15Cl3O4Si/c1-11-15(12-5-2-8,13-6-3-9)14-7-4-10/h2-7H2,1H3
InChIKeyHAFGFEPMCHFMTL-UHFFFAOYSA-N
MW297.64 g/mol
LogP1.83
Rot. Bonds10

About tris(2-chloroethyl) methyl silicate

tris(2-chloroethyl) methyl silicate (PubChem CID 174632616) has the molecular formula C7H15Cl3O4Si and a molecular weight of 297.64 g/mol. Its IUPAC name is tris(2-chloroethyl) methyl silicate.

Molecular Properties

Compound Nametris(2-chloroethyl) methyl silicate
PubChem CID174632616
Molecular FormulaC7H15Cl3O4Si
Molecular Weight297.64 g/mol
Exact Mass295.98
IUPAC Nametris(2-chloroethyl) methyl silicate
SMILESCO[Si](OCCCl)(OCCCl)OCCCl
InChIInChI=1S/C7H15Cl3O4Si/c1-11-15(12-5-2-8,13-6-3-9)14-7-4-10/h2-7H2,1H3
InChIKeyHAFGFEPMCHFMTL-UHFFFAOYSA-N
XLogP1.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.64
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tris(2-chloroethyl) methyl silicate?
The IUPAC name of tris(2-chloroethyl) methyl silicate (CID 174632616) is tris(2-chloroethyl) methyl silicate.
What is the SMILES notation for tris(2-chloroethyl) methyl silicate?
The canonical SMILES for tris(2-chloroethyl) methyl silicate is CO[Si](OCCCl)(OCCCl)OCCCl.
What is the InChIKey of tris(2-chloroethyl) methyl silicate?
The InChIKey is HAFGFEPMCHFMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15Cl3O4Si/c1-11-15(12-5-2-8,13-6-3-9)14-7-4-10/h2-7H2,1H3.
What are the key properties of tris(2-chloroethyl) methyl silicate?
tris(2-chloroethyl) methyl silicate has a molecular weight of 297.64 g/mol, XLogP of 1.83, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-chloroethyl) methyl silicate is sourced from PubChem (CID 174632616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).