1-chloroethyl triethyl silicate

C8H19ClO4Si — CID 140595669

IUPAC1-chloroethyl triethyl silicate
SMILESCCO[Si](OCC)(OCC)OC(C)Cl
InChIInChI=1S/C8H19ClO4Si/c1-5-10-14(11-6-2,12-7-3)13-8(4)9/h8H,5-7H2,1-4H3
InChIKeyZVIXAYOCRKDCBF-UHFFFAOYSA-N
MW242.77 g/mol
LogP2.13
Rot. Bonds8

About 1-chloroethyl triethyl silicate

1-chloroethyl triethyl silicate (PubChem CID 140595669) has the molecular formula C8H19ClO4Si and a molecular weight of 242.77 g/mol. Its IUPAC name is 1-chloroethyl triethyl silicate.

Molecular Properties

Compound Name1-chloroethyl triethyl silicate
PubChem CID140595669
Molecular FormulaC8H19ClO4Si
Molecular Weight242.77 g/mol
Exact Mass242.07
IUPAC Name1-chloroethyl triethyl silicate
SMILESCCO[Si](OCC)(OCC)OC(C)Cl
InChIInChI=1S/C8H19ClO4Si/c1-5-10-14(11-6-2,12-7-3)13-8(4)9/h8H,5-7H2,1-4H3
InChIKeyZVIXAYOCRKDCBF-UHFFFAOYSA-N
XLogP2.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 52.13
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 1-chloroethyl triethyl silicate?
The IUPAC name of 1-chloroethyl triethyl silicate (CID 140595669) is 1-chloroethyl triethyl silicate.
What is the SMILES notation for 1-chloroethyl triethyl silicate?
The canonical SMILES for 1-chloroethyl triethyl silicate is CCO[Si](OCC)(OCC)OC(C)Cl.
What is the InChIKey of 1-chloroethyl triethyl silicate?
The InChIKey is ZVIXAYOCRKDCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19ClO4Si/c1-5-10-14(11-6-2,12-7-3)13-8(4)9/h8H,5-7H2,1-4H3.
What are the key properties of 1-chloroethyl triethyl silicate?
1-chloroethyl triethyl silicate has a molecular weight of 242.77 g/mol, XLogP of 2.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethyl triethyl silicate is sourced from PubChem (CID 140595669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).