1,2,3-trichloropropoxysilane

C3H7Cl3OSi — CID 173043259

IUPAC1,2,3-trichloropropoxysilane
SMILES[SiH3]OC(Cl)C(Cl)CCl
InChIInChI=1S/C3H7Cl3OSi/c4-1-2(5)3(6)7-8/h2-3H,1H2,8H3
InChIKeyRUMIUVZBDCAVRV-UHFFFAOYSA-N
MW193.53 g/mol
LogP0.69
Rot. Bonds3

About 1,2,3-trichloropropoxysilane

1,2,3-trichloropropoxysilane (PubChem CID 173043259) has the molecular formula C3H7Cl3OSi and a molecular weight of 193.53 g/mol. Its IUPAC name is 1,2,3-trichloropropoxysilane.

Molecular Properties

Compound Name1,2,3-trichloropropoxysilane
PubChem CID173043259
Molecular FormulaC3H7Cl3OSi
Molecular Weight193.53 g/mol
Exact Mass191.93
IUPAC Name1,2,3-trichloropropoxysilane
SMILES[SiH3]OC(Cl)C(Cl)CCl
InChIInChI=1S/C3H7Cl3OSi/c4-1-2(5)3(6)7-8/h2-3H,1H2,8H3
InChIKeyRUMIUVZBDCAVRV-UHFFFAOYSA-N
XLogP0.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.53
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,2,3-trichloropropoxysilane?
The IUPAC name of 1,2,3-trichloropropoxysilane (CID 173043259) is 1,2,3-trichloropropoxysilane.
What is the SMILES notation for 1,2,3-trichloropropoxysilane?
The canonical SMILES for 1,2,3-trichloropropoxysilane is [SiH3]OC(Cl)C(Cl)CCl.
What is the InChIKey of 1,2,3-trichloropropoxysilane?
The InChIKey is RUMIUVZBDCAVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl3OSi/c4-1-2(5)3(6)7-8/h2-3H,1H2,8H3.
What are the key properties of 1,2,3-trichloropropoxysilane?
1,2,3-trichloropropoxysilane has a molecular weight of 193.53 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trichloropropoxysilane is sourced from PubChem (CID 173043259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).