bis(dimethyltin);bis(2,2,2-trichloroethane-1,1-diol)

C8H18Cl6O4Sn2 — CID 5256174

IUPACbis(dimethyltin);bis(2,2,2-trichloroethane-1,1-diol)
SMILESC[Sn]C.C[Sn]C.OC(O)C(Cl)(Cl)Cl.OC(O)C(Cl)(Cl)Cl
InChIInChI=1S/2C2H3Cl3O2.4CH3.2Sn/c2*3-2(4,5)1(6)7;;;;;;/h2*1,6-7H;4*1H3;;
InChIKeyPDTSPZKRKBOVBH-UHFFFAOYSA-N
MW628.37 g/mol
LogP2.91
Rot. Bonds

About bis(dimethyltin);bis(2,2,2-trichloroethane-1,1-diol)

bis(dimethyltin);bis(2,2,2-trichloroethane-1,1-diol) (PubChem CID 5256174) has the molecular formula C8H18Cl6O4Sn2 and a molecular weight of 628.37 g/mol. Its IUPAC name is bis(dimethyltin);bis(2,2,2-trichloroethane-1,1-diol).

Molecular Properties

Compound Namebis(dimethyltin);bis(2,2,2-trichloroethane-1,1-diol)
PubChem CID5256174
Molecular FormulaC8H18Cl6O4Sn2
Molecular Weight628.37 g/mol
Exact Mass627.74
IUPAC Namebis(dimethyltin);bis(2,2,2-trichloroethane-1,1-diol)
SMILESC[Sn]C.C[Sn]C.OC(O)C(Cl)(Cl)Cl.OC(O)C(Cl)(Cl)Cl
InChIInChI=1S/2C2H3Cl3O2.4CH3.2Sn/c2*3-2(4,5)1(6)7;;;;;;/h2*1,6-7H;4*1H3;;
InChIKeyPDTSPZKRKBOVBH-UHFFFAOYSA-N
XLogP2.91
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.37
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2,6,6-Tetramethyl-4,8-bis(trichloromethyl)-1,3,5,7,2,6-tetraoxadistannocane
CID 16685627

Frequently Asked Questions

What is the IUPAC name of bis(dimethyltin);bis(2,2,2-trichloroethane-1,1-diol)?
The IUPAC name of bis(dimethyltin);bis(2,2,2-trichloroethane-1,1-diol) (CID 5256174) is bis(dimethyltin);bis(2,2,2-trichloroethane-1,1-diol).
What is the SMILES notation for bis(dimethyltin);bis(2,2,2-trichloroethane-1,1-diol)?
The canonical SMILES for bis(dimethyltin);bis(2,2,2-trichloroethane-1,1-diol) is C[Sn]C.C[Sn]C.OC(O)C(Cl)(Cl)Cl.OC(O)C(Cl)(Cl)Cl.
What is the InChIKey of bis(dimethyltin);bis(2,2,2-trichloroethane-1,1-diol)?
The InChIKey is PDTSPZKRKBOVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H3Cl3O2.4CH3.2Sn/c2*3-2(4,5)1(6)7;;;;;;/h2*1,6-7H;4*1H3;;.
What are the key properties of bis(dimethyltin);bis(2,2,2-trichloroethane-1,1-diol)?
bis(dimethyltin);bis(2,2,2-trichloroethane-1,1-diol) has a molecular weight of 628.37 g/mol, XLogP of 2.91, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethyltin);bis(2,2,2-trichloroethane-1,1-diol) is sourced from PubChem (CID 5256174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).