2-chloroethyl-bis(ethoxymethoxy)silane

C8H19ClO4Si — CID 158412489

IUPAC2-chloroethyl-bis(ethoxymethoxy)silane
SMILESCCOCO[SiH](CCCl)OCOCC
InChIInChI=1S/C8H19ClO4Si/c1-3-10-7-12-14(6-5-9)13-8-11-4-2/h14H,3-8H2,1-2H3
InChIKeyQSUSTVKHASFIHB-UHFFFAOYSA-N
MW242.77 g/mol
LogP1.47
Rot. Bonds10

About 2-chloroethyl-bis(ethoxymethoxy)silane

2-chloroethyl-bis(ethoxymethoxy)silane (PubChem CID 158412489) has the molecular formula C8H19ClO4Si and a molecular weight of 242.77 g/mol. Its IUPAC name is 2-chloroethyl-bis(ethoxymethoxy)silane.

Molecular Properties

Compound Name2-chloroethyl-bis(ethoxymethoxy)silane
PubChem CID158412489
Molecular FormulaC8H19ClO4Si
Molecular Weight242.77 g/mol
Exact Mass242.07
IUPAC Name2-chloroethyl-bis(ethoxymethoxy)silane
SMILESCCOCO[SiH](CCCl)OCOCC
InChIInChI=1S/C8H19ClO4Si/c1-3-10-7-12-14(6-5-9)13-8-11-4-2/h14H,3-8H2,1-2H3
InChIKeyQSUSTVKHASFIHB-UHFFFAOYSA-N
XLogP1.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-bis(ethoxymethoxy)silane?
The IUPAC name of 2-chloroethyl-bis(ethoxymethoxy)silane (CID 158412489) is 2-chloroethyl-bis(ethoxymethoxy)silane.
What is the SMILES notation for 2-chloroethyl-bis(ethoxymethoxy)silane?
The canonical SMILES for 2-chloroethyl-bis(ethoxymethoxy)silane is CCOCO[SiH](CCCl)OCOCC.
What is the InChIKey of 2-chloroethyl-bis(ethoxymethoxy)silane?
The InChIKey is QSUSTVKHASFIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19ClO4Si/c1-3-10-7-12-14(6-5-9)13-8-11-4-2/h14H,3-8H2,1-2H3.
What are the key properties of 2-chloroethyl-bis(ethoxymethoxy)silane?
2-chloroethyl-bis(ethoxymethoxy)silane has a molecular weight of 242.77 g/mol, XLogP of 1.47, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl-bis(ethoxymethoxy)silane is sourced from PubChem (CID 158412489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).