dichlorotin;1,4-dioxane

C4H8Cl2O2Sn — CID 6102244

IUPACdichlorotin;1,4-dioxane
SMILESC1COCCO1.Cl[Sn]Cl
InChIInChI=1S/C4H8O2.2ClH.Sn/c1-2-6-4-3-5-1;;;/h1-4H2;2*1H;/q;;;+2/p-2
InChIKeyQNTQREKJBBERLH-UHFFFAOYSA-L
MW277.72 g/mol
LogP1.03
Rot. Bonds

About dichlorotin;1,4-dioxane

dichlorotin;1,4-dioxane (PubChem CID 6102244) has the molecular formula C4H8Cl2O2Sn and a molecular weight of 277.72 g/mol. Its IUPAC name is dichlorotin;1,4-dioxane.

Molecular Properties

Compound Namedichlorotin;1,4-dioxane
PubChem CID6102244
Molecular FormulaC4H8Cl2O2Sn
Molecular Weight277.72 g/mol
Exact Mass277.89
IUPAC Namedichlorotin;1,4-dioxane
SMILESC1COCCO1.Cl[Sn]Cl
InChIInChI=1S/C4H8O2.2ClH.Sn/c1-2-6-4-3-5-1;;;/h1-4H2;2*1H;/q;;;+2/p-2
InChIKeyQNTQREKJBBERLH-UHFFFAOYSA-L
XLogP1.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze dichlorotin;1,4-dioxane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dichlorotin;1,4-dioxane?
The IUPAC name of dichlorotin;1,4-dioxane (CID 6102244) is dichlorotin;1,4-dioxane.
What is the SMILES notation for dichlorotin;1,4-dioxane?
The canonical SMILES for dichlorotin;1,4-dioxane is C1COCCO1.Cl[Sn]Cl.
What is the InChIKey of dichlorotin;1,4-dioxane?
The InChIKey is QNTQREKJBBERLH-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H8O2.2ClH.Sn/c1-2-6-4-3-5-1;;;/h1-4H2;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorotin;1,4-dioxane?
dichlorotin;1,4-dioxane has a molecular weight of 277.72 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotin;1,4-dioxane is sourced from PubChem (CID 6102244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).