2-chloroethyl-ethoxy-bis(ethoxymethoxy)silane

C10H23ClO5Si — CID 57133200

IUPAC2-chloroethyl-ethoxy-bis(ethoxymethoxy)silane
SMILESCCOCO[Si](CCCl)(OCC)OCOCC
InChIInChI=1S/C10H23ClO5Si/c1-4-12-9-15-17(8-7-11,14-6-3)16-10-13-5-2/h4-10H2,1-3H3
InChIKeyNSYJAAVAZPEJTB-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.22
Rot. Bonds12

About 2-chloroethyl-ethoxy-bis(ethoxymethoxy)silane

2-chloroethyl-ethoxy-bis(ethoxymethoxy)silane (PubChem CID 57133200) has the molecular formula C10H23ClO5Si and a molecular weight of 286.83 g/mol. Its IUPAC name is 2-chloroethyl-ethoxy-bis(ethoxymethoxy)silane.

Molecular Properties

Compound Name2-chloroethyl-ethoxy-bis(ethoxymethoxy)silane
PubChem CID57133200
Molecular FormulaC10H23ClO5Si
Molecular Weight286.83 g/mol
Exact Mass286.10
IUPAC Name2-chloroethyl-ethoxy-bis(ethoxymethoxy)silane
SMILESCCOCO[Si](CCCl)(OCC)OCOCC
InChIInChI=1S/C10H23ClO5Si/c1-4-12-9-15-17(8-7-11,14-6-3)16-10-13-5-2/h4-10H2,1-3H3
InChIKeyNSYJAAVAZPEJTB-UHFFFAOYSA-N
XLogP2.22
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethoxy-bis(ethoxymethoxy)silane?
The IUPAC name of 2-chloroethyl-ethoxy-bis(ethoxymethoxy)silane (CID 57133200) is 2-chloroethyl-ethoxy-bis(ethoxymethoxy)silane.
What is the SMILES notation for 2-chloroethyl-ethoxy-bis(ethoxymethoxy)silane?
The canonical SMILES for 2-chloroethyl-ethoxy-bis(ethoxymethoxy)silane is CCOCO[Si](CCCl)(OCC)OCOCC.
What is the InChIKey of 2-chloroethyl-ethoxy-bis(ethoxymethoxy)silane?
The InChIKey is NSYJAAVAZPEJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23ClO5Si/c1-4-12-9-15-17(8-7-11,14-6-3)16-10-13-5-2/h4-10H2,1-3H3.
What are the key properties of 2-chloroethyl-ethoxy-bis(ethoxymethoxy)silane?
2-chloroethyl-ethoxy-bis(ethoxymethoxy)silane has a molecular weight of 286.83 g/mol, XLogP of 2.22, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl-ethoxy-bis(ethoxymethoxy)silane is sourced from PubChem (CID 57133200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).