2-chloroethyl-tris(1-ethoxyethoxy)silane

C14H31ClO6Si — CID 20537253

IUPAC2-chloroethyl-tris(1-ethoxyethoxy)silane
SMILESCCOC(C)O[Si](CCCl)(OC(C)OCC)OC(C)OCC
InChIInChI=1S/C14H31ClO6Si/c1-7-16-12(4)19-22(11-10-15,20-13(5)17-8-2)21-14(6)18-9-3/h12-14H,7-11H2,1-6H3
InChIKeySNTRGUSYELUCOR-UHFFFAOYSA-N
MW358.94 g/mol
LogP3.36
Rot. Bonds14

About 2-chloroethyl-tris(1-ethoxyethoxy)silane

2-chloroethyl-tris(1-ethoxyethoxy)silane (PubChem CID 20537253) has the molecular formula C14H31ClO6Si and a molecular weight of 358.94 g/mol. Its IUPAC name is 2-chloroethyl-tris(1-ethoxyethoxy)silane.

Molecular Properties

Compound Name2-chloroethyl-tris(1-ethoxyethoxy)silane
PubChem CID20537253
Molecular FormulaC14H31ClO6Si
Molecular Weight358.94 g/mol
Exact Mass358.16
IUPAC Name2-chloroethyl-tris(1-ethoxyethoxy)silane
SMILESCCOC(C)O[Si](CCCl)(OC(C)OCC)OC(C)OCC
InChIInChI=1S/C14H31ClO6Si/c1-7-16-12(4)19-22(11-10-15,20-13(5)17-8-2)21-14(6)18-9-3/h12-14H,7-11H2,1-6H3
InChIKeySNTRGUSYELUCOR-UHFFFAOYSA-N
XLogP3.36
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.94
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl-tris(1-ethoxyethoxy)silane?
The IUPAC name of 2-chloroethyl-tris(1-ethoxyethoxy)silane (CID 20537253) is 2-chloroethyl-tris(1-ethoxyethoxy)silane.
What is the SMILES notation for 2-chloroethyl-tris(1-ethoxyethoxy)silane?
The canonical SMILES for 2-chloroethyl-tris(1-ethoxyethoxy)silane is CCOC(C)O[Si](CCCl)(OC(C)OCC)OC(C)OCC.
What is the InChIKey of 2-chloroethyl-tris(1-ethoxyethoxy)silane?
The InChIKey is SNTRGUSYELUCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31ClO6Si/c1-7-16-12(4)19-22(11-10-15,20-13(5)17-8-2)21-14(6)18-9-3/h12-14H,7-11H2,1-6H3.
What are the key properties of 2-chloroethyl-tris(1-ethoxyethoxy)silane?
2-chloroethyl-tris(1-ethoxyethoxy)silane has a molecular weight of 358.94 g/mol, XLogP of 3.36, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl-tris(1-ethoxyethoxy)silane is sourced from PubChem (CID 20537253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).