2-chloroethyl-bis(1-ethoxyethoxy)-hydroxysilane

C10H23ClO5Si — CID 20537272

IUPAC2-chloroethyl-bis(1-ethoxyethoxy)-hydroxysilane
SMILESCCOC(C)O[Si](O)(CCCl)OC(C)OCC
InChIInChI=1S/C10H23ClO5Si/c1-5-13-9(3)15-17(12,8-7-11)16-10(4)14-6-2/h9-10,12H,5-8H2,1-4H3
InChIKeyAMKNQSYNFNUOOE-UHFFFAOYSA-N
MW286.83 g/mol
LogP1.95
Rot. Bonds10

About 2-chloroethyl-bis(1-ethoxyethoxy)-hydroxysilane

2-chloroethyl-bis(1-ethoxyethoxy)-hydroxysilane (PubChem CID 20537272) has the molecular formula C10H23ClO5Si and a molecular weight of 286.83 g/mol. Its IUPAC name is 2-chloroethyl-bis(1-ethoxyethoxy)-hydroxysilane.

Molecular Properties

Compound Name2-chloroethyl-bis(1-ethoxyethoxy)-hydroxysilane
PubChem CID20537272
Molecular FormulaC10H23ClO5Si
Molecular Weight286.83 g/mol
Exact Mass286.10
IUPAC Name2-chloroethyl-bis(1-ethoxyethoxy)-hydroxysilane
SMILESCCOC(C)O[Si](O)(CCCl)OC(C)OCC
InChIInChI=1S/C10H23ClO5Si/c1-5-13-9(3)15-17(12,8-7-11)16-10(4)14-6-2/h9-10,12H,5-8H2,1-4H3
InChIKeyAMKNQSYNFNUOOE-UHFFFAOYSA-N
XLogP1.95
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-bis(1-ethoxyethoxy)-hydroxysilane?
The IUPAC name of 2-chloroethyl-bis(1-ethoxyethoxy)-hydroxysilane (CID 20537272) is 2-chloroethyl-bis(1-ethoxyethoxy)-hydroxysilane.
What is the SMILES notation for 2-chloroethyl-bis(1-ethoxyethoxy)-hydroxysilane?
The canonical SMILES for 2-chloroethyl-bis(1-ethoxyethoxy)-hydroxysilane is CCOC(C)O[Si](O)(CCCl)OC(C)OCC.
What is the InChIKey of 2-chloroethyl-bis(1-ethoxyethoxy)-hydroxysilane?
The InChIKey is AMKNQSYNFNUOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23ClO5Si/c1-5-13-9(3)15-17(12,8-7-11)16-10(4)14-6-2/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2-chloroethyl-bis(1-ethoxyethoxy)-hydroxysilane?
2-chloroethyl-bis(1-ethoxyethoxy)-hydroxysilane has a molecular weight of 286.83 g/mol, XLogP of 1.95, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl-bis(1-ethoxyethoxy)-hydroxysilane is sourced from PubChem (CID 20537272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).