2-chloroethyl(ethoxymethoxy)silane;dihydrochloride

C5H15Cl3O2Si — CID 173434038

IUPAC2-chloroethyl(ethoxymethoxy)silane;dihydrochloride
SMILESCCOCO[SiH2]CCCl.Cl.Cl
InChIInChI=1S/C5H13ClO2Si.2ClH/c1-2-7-5-8-9-4-3-6;;/h2-5,9H2,1H3;2*1H
InChIKeyBFGQZDMHNQQVCU-UHFFFAOYSA-N
MW241.62 g/mol
LogP1.58
Rot. Bonds6

About 2-chloroethyl(ethoxymethoxy)silane;dihydrochloride

2-chloroethyl(ethoxymethoxy)silane;dihydrochloride (PubChem CID 173434038) has the molecular formula C5H15Cl3O2Si and a molecular weight of 241.62 g/mol. Its IUPAC name is 2-chloroethyl(ethoxymethoxy)silane;dihydrochloride.

Molecular Properties

Compound Name2-chloroethyl(ethoxymethoxy)silane;dihydrochloride
PubChem CID173434038
Molecular FormulaC5H15Cl3O2Si
Molecular Weight241.62 g/mol
Exact Mass239.99
IUPAC Name2-chloroethyl(ethoxymethoxy)silane;dihydrochloride
SMILESCCOCO[SiH2]CCCl.Cl.Cl
InChIInChI=1S/C5H13ClO2Si.2ClH/c1-2-7-5-8-9-4-3-6;;/h2-5,9H2,1H3;2*1H
InChIKeyBFGQZDMHNQQVCU-UHFFFAOYSA-N
XLogP1.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.62
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

2-chloroethyl(methoxy)silane
CID 154337921
ethoxymethoxy-[3-[3-[2-(ethoxymethoxy)ethoxysilyl]propyltetrasulfanyl]propyl]silane
CID 173161096
dichloromethane;ethoxyethane;methanol;hydrochloride
CID 131723053
2-chloroethyl-bis(ethoxymethoxy)silane
CID 158412489
butyl(2-ethoxyethoxy)silane
CID 174932495
ethoxyethane;titanium;trihydrochloride
CID 173160344
ethoxyethane;molybdenum;tetrahydrochloride
CID 174873486
ethoxyethane
CID 19002445
ethoxyethane
CID 18694919
2-chloroethyl(dichloromethoxy)silane
CID 123769523
ethoxymethyl hypoiodite
CID 143401177
bis(dimethoxymethane);ethoxymethoxyethane
CID 158499247

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl(ethoxymethoxy)silane;dihydrochloride?
The IUPAC name of 2-chloroethyl(ethoxymethoxy)silane;dihydrochloride (CID 173434038) is 2-chloroethyl(ethoxymethoxy)silane;dihydrochloride.
What is the SMILES notation for 2-chloroethyl(ethoxymethoxy)silane;dihydrochloride?
The canonical SMILES for 2-chloroethyl(ethoxymethoxy)silane;dihydrochloride is CCOCO[SiH2]CCCl.Cl.Cl.
What is the InChIKey of 2-chloroethyl(ethoxymethoxy)silane;dihydrochloride?
The InChIKey is BFGQZDMHNQQVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13ClO2Si.2ClH/c1-2-7-5-8-9-4-3-6;;/h2-5,9H2,1H3;2*1H.
What are the key properties of 2-chloroethyl(ethoxymethoxy)silane;dihydrochloride?
2-chloroethyl(ethoxymethoxy)silane;dihydrochloride has a molecular weight of 241.62 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl(ethoxymethoxy)silane;dihydrochloride is sourced from PubChem (CID 173434038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).