4-chlorobutoxy-bis(2-chloroethyl)-methoxysilane

C9H19Cl3O2Si — CID 88753819

IUPAC4-chlorobutoxy-bis(2-chloroethyl)-methoxysilane
SMILESCO[Si](CCCl)(CCCl)OCCCCCl
InChIInChI=1S/C9H19Cl3O2Si/c1-13-15(8-5-11,9-6-12)14-7-3-2-4-10/h2-9H2,1H3
InChIKeyJNDJTZRDOWIYPM-UHFFFAOYSA-N
MW293.69 g/mol
LogP3.59
Rot. Bonds10

About 4-chlorobutoxy-bis(2-chloroethyl)-methoxysilane

4-chlorobutoxy-bis(2-chloroethyl)-methoxysilane (PubChem CID 88753819) has the molecular formula C9H19Cl3O2Si and a molecular weight of 293.69 g/mol. Its IUPAC name is 4-chlorobutoxy-bis(2-chloroethyl)-methoxysilane.

Molecular Properties

Compound Name4-chlorobutoxy-bis(2-chloroethyl)-methoxysilane
PubChem CID88753819
Molecular FormulaC9H19Cl3O2Si
Molecular Weight293.69 g/mol
Exact Mass292.02
IUPAC Name4-chlorobutoxy-bis(2-chloroethyl)-methoxysilane
SMILESCO[Si](CCCl)(CCCl)OCCCCCl
InChIInChI=1S/C9H19Cl3O2Si/c1-13-15(8-5-11,9-6-12)14-7-3-2-4-10/h2-9H2,1H3
InChIKeyJNDJTZRDOWIYPM-UHFFFAOYSA-N
XLogP3.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 53.59
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-chlorobutoxy-bis(2-chloroethyl)-methoxysilane?
The IUPAC name of 4-chlorobutoxy-bis(2-chloroethyl)-methoxysilane (CID 88753819) is 4-chlorobutoxy-bis(2-chloroethyl)-methoxysilane.
What is the SMILES notation for 4-chlorobutoxy-bis(2-chloroethyl)-methoxysilane?
The canonical SMILES for 4-chlorobutoxy-bis(2-chloroethyl)-methoxysilane is CO[Si](CCCl)(CCCl)OCCCCCl.
What is the InChIKey of 4-chlorobutoxy-bis(2-chloroethyl)-methoxysilane?
The InChIKey is JNDJTZRDOWIYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Cl3O2Si/c1-13-15(8-5-11,9-6-12)14-7-3-2-4-10/h2-9H2,1H3.
What are the key properties of 4-chlorobutoxy-bis(2-chloroethyl)-methoxysilane?
4-chlorobutoxy-bis(2-chloroethyl)-methoxysilane has a molecular weight of 293.69 g/mol, XLogP of 3.59, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutoxy-bis(2-chloroethyl)-methoxysilane is sourced from PubChem (CID 88753819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).