1-chloropropyl(trimethoxy)silane

C6H15ClO3Si — CID 5463947

IUPAC1-chloropropyl(trimethoxy)silane
SMILESCCC(Cl)[Si](OC)(OC)OC
InChIInChI=1S/C6H15ClO3Si/c1-5-6(7)11(8-2,9-3)10-4/h6H,5H2,1-4H3
InChIKeyHIYKRAYZGHOHIV-UHFFFAOYSA-N
MW198.72 g/mol
LogP1.42
Rot. Bonds5

About 1-chloropropyl(trimethoxy)silane

1-chloropropyl(trimethoxy)silane (PubChem CID 5463947) has the molecular formula C6H15ClO3Si and a molecular weight of 198.72 g/mol. Its IUPAC name is 1-chloropropyl(trimethoxy)silane.

Molecular Properties

Compound Name1-chloropropyl(trimethoxy)silane
PubChem CID5463947
Molecular FormulaC6H15ClO3Si
Molecular Weight198.72 g/mol
Exact Mass198.05
IUPAC Name1-chloropropyl(trimethoxy)silane
SMILESCCC(Cl)[Si](OC)(OC)OC
InChIInChI=1S/C6H15ClO3Si/c1-5-6(7)11(8-2,9-3)10-4/h6H,5H2,1-4H3
InChIKeyHIYKRAYZGHOHIV-UHFFFAOYSA-N
XLogP1.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.72
LogP ≤ 51.42
H-Bond Donors ≤ 50
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 1-chloropropyl(trimethoxy)silane?
The IUPAC name of 1-chloropropyl(trimethoxy)silane (CID 5463947) is 1-chloropropyl(trimethoxy)silane.
What is the SMILES notation for 1-chloropropyl(trimethoxy)silane?
The canonical SMILES for 1-chloropropyl(trimethoxy)silane is CCC(Cl)[Si](OC)(OC)OC.
What is the InChIKey of 1-chloropropyl(trimethoxy)silane?
The InChIKey is HIYKRAYZGHOHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15ClO3Si/c1-5-6(7)11(8-2,9-3)10-4/h6H,5H2,1-4H3.
What are the key properties of 1-chloropropyl(trimethoxy)silane?
1-chloropropyl(trimethoxy)silane has a molecular weight of 198.72 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropyl(trimethoxy)silane is sourced from PubChem (CID 5463947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).