bis(3-chloropropoxy)-dihydroxysilane

C6H14Cl2O4Si — CID 141398755

IUPACbis(3-chloropropoxy)-dihydroxysilane
SMILESO[Si](O)(OCCCCl)OCCCCl
InChIInChI=1S/C6H14Cl2O4Si/c7-3-1-5-11-13(9,10)12-6-2-4-8/h9-10H,1-6H2
InChIKeyLILFNZYKCJDZFF-UHFFFAOYSA-N
MW249.17 g/mol
LogP0.70
Rot. Bonds8

About bis(3-chloropropoxy)-dihydroxysilane

bis(3-chloropropoxy)-dihydroxysilane (PubChem CID 141398755) has the molecular formula C6H14Cl2O4Si and a molecular weight of 249.17 g/mol. Its IUPAC name is bis(3-chloropropoxy)-dihydroxysilane.

Molecular Properties

Compound Namebis(3-chloropropoxy)-dihydroxysilane
PubChem CID141398755
Molecular FormulaC6H14Cl2O4Si
Molecular Weight249.17 g/mol
Exact Mass248.00
IUPAC Namebis(3-chloropropoxy)-dihydroxysilane
SMILESO[Si](O)(OCCCCl)OCCCCl
InChIInChI=1S/C6H14Cl2O4Si/c7-3-1-5-11-13(9,10)12-6-2-4-8/h9-10H,1-6H2
InChIKeyLILFNZYKCJDZFF-UHFFFAOYSA-N
XLogP0.70
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.17
LogP ≤ 50.70
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of bis(3-chloropropoxy)-dihydroxysilane?
The IUPAC name of bis(3-chloropropoxy)-dihydroxysilane (CID 141398755) is bis(3-chloropropoxy)-dihydroxysilane.
What is the SMILES notation for bis(3-chloropropoxy)-dihydroxysilane?
The canonical SMILES for bis(3-chloropropoxy)-dihydroxysilane is O[Si](O)(OCCCCl)OCCCCl.
What is the InChIKey of bis(3-chloropropoxy)-dihydroxysilane?
The InChIKey is LILFNZYKCJDZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14Cl2O4Si/c7-3-1-5-11-13(9,10)12-6-2-4-8/h9-10H,1-6H2.
What are the key properties of bis(3-chloropropoxy)-dihydroxysilane?
bis(3-chloropropoxy)-dihydroxysilane has a molecular weight of 249.17 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chloropropoxy)-dihydroxysilane is sourced from PubChem (CID 141398755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).