tris(1-chloropropyl) stiborite

C9H18Cl3O3Sb — CID 21162915

IUPACtris(1-chloropropyl) stiborite
SMILESCCC(Cl)O[Sb](OC(Cl)CC)OC(Cl)CC
InChIInChI=1S/3C3H6ClO.Sb/c3*1-2-3(4)5;/h3*3H,2H2,1H3;/q3*-1;+3
InChIKeyMCWQCSMNXFZTPM-UHFFFAOYSA-N
MW402.36 g/mol
LogP3.95
Rot. Bonds9

About tris(1-chloropropyl) stiborite

tris(1-chloropropyl) stiborite (PubChem CID 21162915) has the molecular formula C9H18Cl3O3Sb and a molecular weight of 402.36 g/mol. Its IUPAC name is tris(1-chloropropyl) stiborite.

Molecular Properties

Compound Nametris(1-chloropropyl) stiborite
PubChem CID21162915
Molecular FormulaC9H18Cl3O3Sb
Molecular Weight402.36 g/mol
Exact Mass399.94
IUPAC Nametris(1-chloropropyl) stiborite
SMILESCCC(Cl)O[Sb](OC(Cl)CC)OC(Cl)CC
InChIInChI=1S/3C3H6ClO.Sb/c3*1-2-3(4)5;/h3*3H,2H2,1H3;/q3*-1;+3
InChIKeyMCWQCSMNXFZTPM-UHFFFAOYSA-N
XLogP3.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.36
LogP ≤ 53.95
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(1-chloropropyl) stiborite?
The IUPAC name of tris(1-chloropropyl) stiborite (CID 21162915) is tris(1-chloropropyl) stiborite.
What is the SMILES notation for tris(1-chloropropyl) stiborite?
The canonical SMILES for tris(1-chloropropyl) stiborite is CCC(Cl)O[Sb](OC(Cl)CC)OC(Cl)CC.
What is the InChIKey of tris(1-chloropropyl) stiborite?
The InChIKey is MCWQCSMNXFZTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H6ClO.Sb/c3*1-2-3(4)5;/h3*3H,2H2,1H3;/q3*-1;+3.
What are the key properties of tris(1-chloropropyl) stiborite?
tris(1-chloropropyl) stiborite has a molecular weight of 402.36 g/mol, XLogP of 3.95, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-chloropropyl) stiborite is sourced from PubChem (CID 21162915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).