diphenoxytin(2+)

C12H10O2Sn+2 — CID 66896971

IUPACdiphenoxytin(2+)
SMILESc1ccc(O[Sn+2]Oc2ccccc2)cc1
InChIInChI=1S/2C6H6O.Sn/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;/q;;+4/p-2
InChIKeyVAKFRQLZFABNDA-UHFFFAOYSA-L
MW304.92 g/mol
LogP2.68
Rot. Bonds4

About diphenoxytin(2+)

diphenoxytin(2+) (PubChem CID 66896971) has the molecular formula C12H10O2Sn+2 and a molecular weight of 304.92 g/mol. Its IUPAC name is diphenoxytin(2+).

Molecular Properties

Compound Namediphenoxytin(2+)
PubChem CID66896971
Molecular FormulaC12H10O2Sn+2
Molecular Weight304.92 g/mol
Exact Mass305.97
IUPAC Namediphenoxytin(2+)
SMILESc1ccc(O[Sn+2]Oc2ccccc2)cc1
InChIInChI=1S/2C6H6O.Sn/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;/q;;+4/p-2
InChIKeyVAKFRQLZFABNDA-UHFFFAOYSA-L
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.92
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

diphenoxytin(2+) dichloride
CID 66896970
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phenyl hypochlorite;titanium
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N,N-dimethylmethanamine;O-phenylhydroxylamine
CID 174658047

Frequently Asked Questions

What is the IUPAC name of diphenoxytin(2+)?
The IUPAC name of diphenoxytin(2+) (CID 66896971) is diphenoxytin(2+).
What is the SMILES notation for diphenoxytin(2+)?
The canonical SMILES for diphenoxytin(2+) is c1ccc(O[Sn+2]Oc2ccccc2)cc1.
What is the InChIKey of diphenoxytin(2+)?
The InChIKey is VAKFRQLZFABNDA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6O.Sn/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;/q;;+4/p-2.
What are the key properties of diphenoxytin(2+)?
diphenoxytin(2+) has a molecular weight of 304.92 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenoxytin(2+) is sourced from PubChem (CID 66896971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).