tris(1-chloropropoxy)silane

C9H19Cl3O3Si — CID 123979185

IUPACtris(1-chloropropoxy)silane
SMILESCCC(Cl)O[SiH](OC(Cl)CC)OC(Cl)CC
InChIInChI=1S/C9H19Cl3O3Si/c1-4-7(10)13-16(14-8(11)5-2)15-9(12)6-3/h7-9,16H,4-6H2,1-3H3
InChIKeyDUSAFOWCYYJHOB-UHFFFAOYSA-N
MW309.69 g/mol
LogP3.68
Rot. Bonds9

About tris(1-chloropropoxy)silane

tris(1-chloropropoxy)silane (PubChem CID 123979185) has the molecular formula C9H19Cl3O3Si and a molecular weight of 309.69 g/mol. Its IUPAC name is tris(1-chloropropoxy)silane.

Molecular Properties

Compound Nametris(1-chloropropoxy)silane
PubChem CID123979185
Molecular FormulaC9H19Cl3O3Si
Molecular Weight309.69 g/mol
Exact Mass308.02
IUPAC Nametris(1-chloropropoxy)silane
SMILESCCC(Cl)O[SiH](OC(Cl)CC)OC(Cl)CC
InChIInChI=1S/C9H19Cl3O3Si/c1-4-7(10)13-16(14-8(11)5-2)15-9(12)6-3/h7-9,16H,4-6H2,1-3H3
InChIKeyDUSAFOWCYYJHOB-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
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'}

Analyze tris(1-chloropropoxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

gamma-Chloromethyl triethoxysilane
CID 87438747
Tris(1-chloropropyl) stiborite
CID 21162915
3-Chlorobutyl-(3-chloropropoxy)-diethoxysilane
CID 54145229
CID 54220043
CID 54220043
Bis(1-chloroethoxy)silane
CID 123183734
Bis(3-chloropropoxy)-methylsilane
CID 123374857
3-Chloropropyl(dipropoxy)silane
CID 123436656
Tris(2-chloropropoxy)silane
CID 123451578
Bis(1-chloropropoxy)silane
CID 123696543
Bis(3-chloropropoxy)-ethylsilane
CID 123750468
4-Chlorobutoxy(diethoxy)silane
CID 123873070
3-Chloropropoxy(diethoxy)silane
CID 123885341

Frequently Asked Questions

What is the IUPAC name of tris(1-chloropropoxy)silane?
The IUPAC name of tris(1-chloropropoxy)silane (CID 123979185) is tris(1-chloropropoxy)silane.
What is the SMILES notation for tris(1-chloropropoxy)silane?
The canonical SMILES for tris(1-chloropropoxy)silane is CCC(Cl)O[SiH](OC(Cl)CC)OC(Cl)CC.
What is the InChIKey of tris(1-chloropropoxy)silane?
The InChIKey is DUSAFOWCYYJHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Cl3O3Si/c1-4-7(10)13-16(14-8(11)5-2)15-9(12)6-3/h7-9,16H,4-6H2,1-3H3.
What are the key properties of tris(1-chloropropoxy)silane?
tris(1-chloropropoxy)silane has a molecular weight of 309.69 g/mol, XLogP of 3.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-chloropropoxy)silane is sourced from PubChem (CID 123979185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).