3-Chloropropyldimethoxysilane

C5H12ClO2Si — CID 22227312

IUPAC—
SMILESCO[Si](CCCCl)OC
InChIInChI=1S/C5H12ClO2Si/c1-7-9(8-2)5-3-4-6/h3-5H2,1-2H3
InChIKeySJIZILLCOZOPQO-UHFFFAOYSA-N
MW167.69 g/mol
LogP1.40
Rot. Bonds5

About 3-Chloropropyldimethoxysilane

3-Chloropropyldimethoxysilane (PubChem CID 22227312) has the molecular formula C5H12ClO2Si and a molecular weight of 167.69 g/mol.

Molecular Properties

Compound Name3-Chloropropyldimethoxysilane
PubChem CID22227312
Molecular FormulaC5H12ClO2Si
Molecular Weight167.69 g/mol
Exact Mass167.03
IUPAC Name—
SMILESCO[Si](CCCCl)OC
InChIInChI=1S/C5H12ClO2Si/c1-7-9(8-2)5-3-4-6/h3-5H2,1-2H3
InChIKeySJIZILLCOZOPQO-UHFFFAOYSA-N
XLogP1.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.69
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 3-Chloropropyldimethoxysilane?
The IUPAC name of 3-Chloropropyldimethoxysilane (CID 22227312) is not available.
What is the SMILES notation for 3-Chloropropyldimethoxysilane?
The canonical SMILES for 3-Chloropropyldimethoxysilane is CO[Si](CCCCl)OC.
What is the InChIKey of 3-Chloropropyldimethoxysilane?
The InChIKey is SJIZILLCOZOPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClO2Si/c1-7-9(8-2)5-3-4-6/h3-5H2,1-2H3.
What are the key properties of 3-Chloropropyldimethoxysilane?
3-Chloropropyldimethoxysilane has a molecular weight of 167.69 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Chloropropyldimethoxysilane is sourced from PubChem (CID 22227312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).