[(E)-benzylideneamino]oxymethylidene-dimethylazanium;hexachloroantimony(1-)

C10H13Cl6N2OSb — CID 134919929

IUPAC[(E)-benzylideneamino]oxymethylidene-dimethylazanium;hexachloroantimony(1-)
SMILESC[N+](C)=CO/N=C/c1ccccc1.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl
InChIInChI=1S/C10H13N2O.6ClH.Sb/c1-12(2)9-13-11-8-10-6-4-3-5-7-10;;;;;;;/h3-9H,1-2H3;6*1H;/q+1;;;;;;;+5/p-6/b11-8+;;;;;;;
InChIKeyDDWRPWBSIISUSC-PKAFVZKNSA-H
MW511.71 g/mol
LogP5.09
Rot. Bonds3

About [(E)-benzylideneamino]oxymethylidene-dimethylazanium;hexachloroantimony(1-)

[(E)-benzylideneamino]oxymethylidene-dimethylazanium;hexachloroantimony(1-) (PubChem CID 134919929) has the molecular formula C10H13Cl6N2OSb and a molecular weight of 511.71 g/mol. Its IUPAC name is [(E)-benzylideneamino]oxymethylidene-dimethylazanium;hexachloroantimony(1-).

Molecular Properties

Compound Name[(E)-benzylideneamino]oxymethylidene-dimethylazanium;hexachloroantimony(1-)
PubChem CID134919929
Molecular FormulaC10H13Cl6N2OSb
Molecular Weight511.71 g/mol
Exact Mass507.82
IUPAC Name[(E)-benzylideneamino]oxymethylidene-dimethylazanium;hexachloroantimony(1-)
SMILESC[N+](C)=CO/N=C/c1ccccc1.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl
InChIInChI=1S/C10H13N2O.6ClH.Sb/c1-12(2)9-13-11-8-10-6-4-3-5-7-10;;;;;;;/h3-9H,1-2H3;6*1H;/q+1;;;;;;;+5/p-6/b11-8+;;;;;;;
InChIKeyDDWRPWBSIISUSC-PKAFVZKNSA-H
XLogP5.09
TPSA24.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.71
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-benzylideneamino]oxymethylidene-dimethylazanium;hexachloroantimony(1-)?
The IUPAC name of [(E)-benzylideneamino]oxymethylidene-dimethylazanium;hexachloroantimony(1-) (CID 134919929) is [(E)-benzylideneamino]oxymethylidene-dimethylazanium;hexachloroantimony(1-).
What is the SMILES notation for [(E)-benzylideneamino]oxymethylidene-dimethylazanium;hexachloroantimony(1-)?
The canonical SMILES for [(E)-benzylideneamino]oxymethylidene-dimethylazanium;hexachloroantimony(1-) is C[N+](C)=CO/N=C/c1ccccc1.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl.
What is the InChIKey of [(E)-benzylideneamino]oxymethylidene-dimethylazanium;hexachloroantimony(1-)?
The InChIKey is DDWRPWBSIISUSC-PKAFVZKNSA-H. The full InChI is InChI=1S/C10H13N2O.6ClH.Sb/c1-12(2)9-13-11-8-10-6-4-3-5-7-10;;;;;;;/h3-9H,1-2H3;6*1H;/q+1;;;;;;;+5/p-6/b11-8+;;;;;;;.
What are the key properties of [(E)-benzylideneamino]oxymethylidene-dimethylazanium;hexachloroantimony(1-)?
[(E)-benzylideneamino]oxymethylidene-dimethylazanium;hexachloroantimony(1-) has a molecular weight of 511.71 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-benzylideneamino]oxymethylidene-dimethylazanium;hexachloroantimony(1-) is sourced from PubChem (CID 134919929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).