chloromethyl triethyl silicate

C7H17ClO4Si — CID 87153014

IUPACchloromethyl triethyl silicate
SMILESCCO[Si](OCC)(OCC)OCCl
InChIInChI=1S/C7H17ClO4Si/c1-4-9-13(10-5-2,11-6-3)12-7-8/h4-7H2,1-3H3
InChIKeyHZBSDQXORXBVGV-UHFFFAOYSA-N
MW228.75 g/mol
LogP1.74
Rot. Bonds8

About chloromethyl triethyl silicate

chloromethyl triethyl silicate (PubChem CID 87153014) has the molecular formula C7H17ClO4Si and a molecular weight of 228.75 g/mol. Its IUPAC name is chloromethyl triethyl silicate.

Molecular Properties

Compound Namechloromethyl triethyl silicate
PubChem CID87153014
Molecular FormulaC7H17ClO4Si
Molecular Weight228.75 g/mol
Exact Mass228.06
IUPAC Namechloromethyl triethyl silicate
SMILESCCO[Si](OCC)(OCC)OCCl
InChIInChI=1S/C7H17ClO4Si/c1-4-9-13(10-5-2,11-6-3)12-7-8/h4-7H2,1-3H3
InChIKeyHZBSDQXORXBVGV-UHFFFAOYSA-N
XLogP1.74
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 51.74
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'}

Analyze chloromethyl triethyl silicate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloromethyl triethyl silicate?
The IUPAC name of chloromethyl triethyl silicate (CID 87153014) is chloromethyl triethyl silicate.
What is the SMILES notation for chloromethyl triethyl silicate?
The canonical SMILES for chloromethyl triethyl silicate is CCO[Si](OCC)(OCC)OCCl.
What is the InChIKey of chloromethyl triethyl silicate?
The InChIKey is HZBSDQXORXBVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClO4Si/c1-4-9-13(10-5-2,11-6-3)12-7-8/h4-7H2,1-3H3.
What are the key properties of chloromethyl triethyl silicate?
chloromethyl triethyl silicate has a molecular weight of 228.75 g/mol, XLogP of 1.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl triethyl silicate is sourced from PubChem (CID 87153014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).