2-chloroethyl trimethyl silicate

C5H13ClO4Si — CID 174729821

IUPAC2-chloroethyl trimethyl silicate
SMILESCO[Si](OC)(OC)OCCCl
InChIInChI=1S/C5H13ClO4Si/c1-7-11(8-2,9-3)10-5-4-6/h4-5H2,1-3H3
InChIKeySCEVBUDPOBZOEH-UHFFFAOYSA-N
MW200.69 g/mol
LogP0.62
Rot. Bonds6

About 2-chloroethyl trimethyl silicate

2-chloroethyl trimethyl silicate (PubChem CID 174729821) has the molecular formula C5H13ClO4Si and a molecular weight of 200.69 g/mol. Its IUPAC name is 2-chloroethyl trimethyl silicate.

Molecular Properties

Compound Name2-chloroethyl trimethyl silicate
PubChem CID174729821
Molecular FormulaC5H13ClO4Si
Molecular Weight200.69 g/mol
Exact Mass200.03
IUPAC Name2-chloroethyl trimethyl silicate
SMILESCO[Si](OC)(OC)OCCCl
InChIInChI=1S/C5H13ClO4Si/c1-7-11(8-2,9-3)10-5-4-6/h4-5H2,1-3H3
InChIKeySCEVBUDPOBZOEH-UHFFFAOYSA-N
XLogP0.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 50.62
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 2-chloroethyl trimethyl silicate?
The IUPAC name of 2-chloroethyl trimethyl silicate (CID 174729821) is 2-chloroethyl trimethyl silicate.
What is the SMILES notation for 2-chloroethyl trimethyl silicate?
The canonical SMILES for 2-chloroethyl trimethyl silicate is CO[Si](OC)(OC)OCCCl.
What is the InChIKey of 2-chloroethyl trimethyl silicate?
The InChIKey is SCEVBUDPOBZOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13ClO4Si/c1-7-11(8-2,9-3)10-5-4-6/h4-5H2,1-3H3.
What are the key properties of 2-chloroethyl trimethyl silicate?
2-chloroethyl trimethyl silicate has a molecular weight of 200.69 g/mol, XLogP of 0.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl trimethyl silicate is sourced from PubChem (CID 174729821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).