1,3-dichloropropyl(trimethoxy)silane

C6H14Cl2O3Si — CID 14993400

IUPAC1,3-dichloropropyl(trimethoxy)silane
SMILESCO[Si](OC)(OC)C(Cl)CCCl
InChIInChI=1S/C6H14Cl2O3Si/c1-9-12(10-2,11-3)6(8)4-5-7/h6H,4-5H2,1-3H3
InChIKeyCAIYSOQRCLRJQZ-UHFFFAOYSA-N
MW233.17 g/mol
LogP1.64
Rot. Bonds6

About 1,3-dichloropropyl(trimethoxy)silane

1,3-dichloropropyl(trimethoxy)silane (PubChem CID 14993400) has the molecular formula C6H14Cl2O3Si and a molecular weight of 233.17 g/mol. Its IUPAC name is 1,3-dichloropropyl(trimethoxy)silane.

Molecular Properties

Compound Name1,3-dichloropropyl(trimethoxy)silane
PubChem CID14993400
Molecular FormulaC6H14Cl2O3Si
Molecular Weight233.17 g/mol
Exact Mass232.01
IUPAC Name1,3-dichloropropyl(trimethoxy)silane
SMILESCO[Si](OC)(OC)C(Cl)CCCl
InChIInChI=1S/C6H14Cl2O3Si/c1-9-12(10-2,11-3)6(8)4-5-7/h6H,4-5H2,1-3H3
InChIKeyCAIYSOQRCLRJQZ-UHFFFAOYSA-N
XLogP1.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 51.64
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 1,3-dichloropropyl(trimethoxy)silane?
The IUPAC name of 1,3-dichloropropyl(trimethoxy)silane (CID 14993400) is 1,3-dichloropropyl(trimethoxy)silane.
What is the SMILES notation for 1,3-dichloropropyl(trimethoxy)silane?
The canonical SMILES for 1,3-dichloropropyl(trimethoxy)silane is CO[Si](OC)(OC)C(Cl)CCCl.
What is the InChIKey of 1,3-dichloropropyl(trimethoxy)silane?
The InChIKey is CAIYSOQRCLRJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14Cl2O3Si/c1-9-12(10-2,11-3)6(8)4-5-7/h6H,4-5H2,1-3H3.
What are the key properties of 1,3-dichloropropyl(trimethoxy)silane?
1,3-dichloropropyl(trimethoxy)silane has a molecular weight of 233.17 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloropropyl(trimethoxy)silane is sourced from PubChem (CID 14993400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).