diphenoxytin(2+) dichloride

C12H10Cl2O2Sn — CID 66896970

IUPACdiphenoxytin(2+) dichloride
SMILES[Cl-].[Cl-].c1ccc(O[Sn+2]Oc2ccccc2)cc1
InChIInChI=1S/2C6H6O.2ClH.Sn/c2*7-6-4-2-1-3-5-6;;;/h2*1-5,7H;2*1H;/q;;;;+4/p-4
InChIKeyNPOLKQYEZJYGFC-UHFFFAOYSA-J
MW375.83 g/mol
LogP-3.31
Rot. Bonds4

About diphenoxytin(2+) dichloride

diphenoxytin(2+) dichloride (PubChem CID 66896970) has the molecular formula C12H10Cl2O2Sn and a molecular weight of 375.83 g/mol. Its IUPAC name is diphenoxytin(2+) dichloride.

Molecular Properties

Compound Namediphenoxytin(2+) dichloride
PubChem CID66896970
Molecular FormulaC12H10Cl2O2Sn
Molecular Weight375.83 g/mol
Exact Mass375.91
IUPAC Namediphenoxytin(2+) dichloride
SMILES[Cl-].[Cl-].c1ccc(O[Sn+2]Oc2ccccc2)cc1
InChIInChI=1S/2C6H6O.2ClH.Sn/c2*7-6-4-2-1-3-5-6;;;/h2*1-5,7H;2*1H;/q;;;;+4/p-4
InChIKeyNPOLKQYEZJYGFC-UHFFFAOYSA-J
XLogP-3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 5-3.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

diphenoxytin(2+)
CID 66896971
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phenyl hypochlorite;titanium
CID 87675742

Frequently Asked Questions

What is the IUPAC name of diphenoxytin(2+) dichloride?
The IUPAC name of diphenoxytin(2+) dichloride (CID 66896970) is diphenoxytin(2+) dichloride.
What is the SMILES notation for diphenoxytin(2+) dichloride?
The canonical SMILES for diphenoxytin(2+) dichloride is [Cl-].[Cl-].c1ccc(O[Sn+2]Oc2ccccc2)cc1.
What is the InChIKey of diphenoxytin(2+) dichloride?
The InChIKey is NPOLKQYEZJYGFC-UHFFFAOYSA-J. The full InChI is InChI=1S/2C6H6O.2ClH.Sn/c2*7-6-4-2-1-3-5-6;;;/h2*1-5,7H;2*1H;/q;;;;+4/p-4.
What are the key properties of diphenoxytin(2+) dichloride?
diphenoxytin(2+) dichloride has a molecular weight of 375.83 g/mol, XLogP of -3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenoxytin(2+) dichloride is sourced from PubChem (CID 66896970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).