tris(2-chloropropoxy)silane

C9H19Cl3O3Si — CID 123451578

IUPACtris(2-chloropropoxy)silane
SMILESCC(Cl)CO[SiH](OCC(C)Cl)OCC(C)Cl
InChIInChI=1S/C9H19Cl3O3Si/c1-7(10)4-13-16(14-5-8(2)11)15-6-9(3)12/h7-9,16H,4-6H2,1-3H3
InChIKeyBMNZFEHWUREQMK-UHFFFAOYSA-N
MW309.69 g/mol
LogP2.64
Rot. Bonds9

About tris(2-chloropropoxy)silane

tris(2-chloropropoxy)silane (PubChem CID 123451578) has the molecular formula C9H19Cl3O3Si and a molecular weight of 309.69 g/mol. Its IUPAC name is tris(2-chloropropoxy)silane.

Molecular Properties

Compound Nametris(2-chloropropoxy)silane
PubChem CID123451578
Molecular FormulaC9H19Cl3O3Si
Molecular Weight309.69 g/mol
Exact Mass308.02
IUPAC Nametris(2-chloropropoxy)silane
SMILESCC(Cl)CO[SiH](OCC(C)Cl)OCC(C)Cl
InChIInChI=1S/C9H19Cl3O3Si/c1-7(10)4-13-16(14-5-8(2)11)15-6-9(3)12/h7-9,16H,4-6H2,1-3H3
InChIKeyBMNZFEHWUREQMK-UHFFFAOYSA-N
XLogP2.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.69
LogP ≤ 52.64
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 tris(2-chloropropoxy)silane?
The IUPAC name of tris(2-chloropropoxy)silane (CID 123451578) is tris(2-chloropropoxy)silane.
What is the SMILES notation for tris(2-chloropropoxy)silane?
The canonical SMILES for tris(2-chloropropoxy)silane is CC(Cl)CO[SiH](OCC(C)Cl)OCC(C)Cl.
What is the InChIKey of tris(2-chloropropoxy)silane?
The InChIKey is BMNZFEHWUREQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Cl3O3Si/c1-7(10)4-13-16(14-5-8(2)11)15-6-9(3)12/h7-9,16H,4-6H2,1-3H3.
What are the key properties of tris(2-chloropropoxy)silane?
tris(2-chloropropoxy)silane has a molecular weight of 309.69 g/mol, XLogP of 2.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-chloropropoxy)silane is sourced from PubChem (CID 123451578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).