3-chloropropyl-hydroxy-dimethoxysilane

C5H13ClO3Si — CID 20614935

IUPAC3-chloropropyl-hydroxy-dimethoxysilane
SMILESCO[Si](O)(CCCCl)OC
InChIInChI=1S/C5H13ClO3Si/c1-8-10(7,9-2)5-3-4-6/h7H,3-5H2,1-2H3
InChIKeyWMGAQLLSTMZQTE-UHFFFAOYSA-N
MW184.69 g/mol
LogP0.84
Rot. Bonds5

About 3-chloropropyl-hydroxy-dimethoxysilane

3-chloropropyl-hydroxy-dimethoxysilane (PubChem CID 20614935) has the molecular formula C5H13ClO3Si and a molecular weight of 184.69 g/mol. Its IUPAC name is 3-chloropropyl-hydroxy-dimethoxysilane.

Molecular Properties

Compound Name3-chloropropyl-hydroxy-dimethoxysilane
PubChem CID20614935
Molecular FormulaC5H13ClO3Si
Molecular Weight184.69 g/mol
Exact Mass184.03
IUPAC Name3-chloropropyl-hydroxy-dimethoxysilane
SMILESCO[Si](O)(CCCCl)OC
InChIInChI=1S/C5H13ClO3Si/c1-8-10(7,9-2)5-3-4-6/h7H,3-5H2,1-2H3
InChIKeyWMGAQLLSTMZQTE-UHFFFAOYSA-N
XLogP0.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.69
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloropropyl-hydroxy-dimethoxysilane?
The IUPAC name of 3-chloropropyl-hydroxy-dimethoxysilane (CID 20614935) is 3-chloropropyl-hydroxy-dimethoxysilane.
What is the SMILES notation for 3-chloropropyl-hydroxy-dimethoxysilane?
The canonical SMILES for 3-chloropropyl-hydroxy-dimethoxysilane is CO[Si](O)(CCCCl)OC.
What is the InChIKey of 3-chloropropyl-hydroxy-dimethoxysilane?
The InChIKey is WMGAQLLSTMZQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13ClO3Si/c1-8-10(7,9-2)5-3-4-6/h7H,3-5H2,1-2H3.
What are the key properties of 3-chloropropyl-hydroxy-dimethoxysilane?
3-chloropropyl-hydroxy-dimethoxysilane has a molecular weight of 184.69 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl-hydroxy-dimethoxysilane is sourced from PubChem (CID 20614935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).