bis(dimethyltin);phenol

C28H36O4Sn2 — CID 4961565

IUPACbis(dimethyltin);phenol
SMILESC[Sn]C.C[Sn]C.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/4C6H6O.4CH3.2Sn/c4*7-6-4-2-1-3-5-6;;;;;;/h4*1-5,7H;4*1H3;;
InChIKeyMTJNEDZZEPSQNK-UHFFFAOYSA-N
MW674.01 g/mol
LogP7.14
Rot. Bonds

About bis(dimethyltin);phenol

bis(dimethyltin);phenol (PubChem CID 4961565) has the molecular formula C28H36O4Sn2 and a molecular weight of 674.01 g/mol. Its IUPAC name is bis(dimethyltin);phenol.

Molecular Properties

Compound Namebis(dimethyltin);phenol
PubChem CID4961565
Molecular FormulaC28H36O4Sn2
Molecular Weight674.01 g/mol
Exact Mass676.07
IUPAC Namebis(dimethyltin);phenol
SMILESC[Sn]C.C[Sn]C.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/4C6H6O.4CH3.2Sn/c4*7-6-4-2-1-3-5-6;;;;;;/h4*1-5,7H;4*1H3;;
InChIKeyMTJNEDZZEPSQNK-UHFFFAOYSA-N
XLogP7.14
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.01
LogP ≤ 57.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(dimethyltin);phenol?
The IUPAC name of bis(dimethyltin);phenol (CID 4961565) is bis(dimethyltin);phenol.
What is the SMILES notation for bis(dimethyltin);phenol?
The canonical SMILES for bis(dimethyltin);phenol is C[Sn]C.C[Sn]C.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of bis(dimethyltin);phenol?
The InChIKey is MTJNEDZZEPSQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H6O.4CH3.2Sn/c4*7-6-4-2-1-3-5-6;;;;;;/h4*1-5,7H;4*1H3;;.
What are the key properties of bis(dimethyltin);phenol?
bis(dimethyltin);phenol has a molecular weight of 674.01 g/mol, XLogP of 7.14, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethyltin);phenol is sourced from PubChem (CID 4961565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).