3-chloropropyl(diethoxymethoxy)silane

C8H19ClO3Si — CID 123140845

IUPAC3-chloropropyl(diethoxymethoxy)silane
SMILESCCOC(OCC)O[SiH2]CCCCl
InChIInChI=1S/C8H19ClO3Si/c1-3-10-8(11-4-2)12-13-7-5-6-9/h8H,3-7,13H2,1-2H3
InChIKeySBPOFRFFAXFFKS-UHFFFAOYSA-N
MW226.78 g/mol
LogP1.49
Rot. Bonds9

About 3-chloropropyl(diethoxymethoxy)silane

3-chloropropyl(diethoxymethoxy)silane (PubChem CID 123140845) has the molecular formula C8H19ClO3Si and a molecular weight of 226.78 g/mol. Its IUPAC name is 3-chloropropyl(diethoxymethoxy)silane.

Molecular Properties

Compound Name3-chloropropyl(diethoxymethoxy)silane
PubChem CID123140845
Molecular FormulaC8H19ClO3Si
Molecular Weight226.78 g/mol
Exact Mass226.08
IUPAC Name3-chloropropyl(diethoxymethoxy)silane
SMILESCCOC(OCC)O[SiH2]CCCCl
InChIInChI=1S/C8H19ClO3Si/c1-3-10-8(11-4-2)12-13-7-5-6-9/h8H,3-7,13H2,1-2H3
InChIKeySBPOFRFFAXFFKS-UHFFFAOYSA-N
XLogP1.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.78
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-chloropropyl(diethoxymethoxy)silane?
The IUPAC name of 3-chloropropyl(diethoxymethoxy)silane (CID 123140845) is 3-chloropropyl(diethoxymethoxy)silane.
What is the SMILES notation for 3-chloropropyl(diethoxymethoxy)silane?
The canonical SMILES for 3-chloropropyl(diethoxymethoxy)silane is CCOC(OCC)O[SiH2]CCCCl.
What is the InChIKey of 3-chloropropyl(diethoxymethoxy)silane?
The InChIKey is SBPOFRFFAXFFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19ClO3Si/c1-3-10-8(11-4-2)12-13-7-5-6-9/h8H,3-7,13H2,1-2H3.
What are the key properties of 3-chloropropyl(diethoxymethoxy)silane?
3-chloropropyl(diethoxymethoxy)silane has a molecular weight of 226.78 g/mol, XLogP of 1.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl(diethoxymethoxy)silane is sourced from PubChem (CID 123140845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).