hexachloroantimony(1-);methyl-phenyl-(propan-2-yloxymethylidene)azanium

C11H16Cl6NOSb — CID 134919753

IUPAChexachloroantimony(1-);methyl-phenyl-(propan-2-yloxymethylidene)azanium
SMILESCC(C)O/C=[N+](\C)c1ccccc1.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl
InChIInChI=1S/C11H16NO.6ClH.Sb/c1-10(2)13-9-12(3)11-7-5-4-6-8-11;;;;;;;/h4-10H,1-3H3;6*1H;/q+1;;;;;;;+5/p-6/b12-9+;;;;;;;
InChIKeyHXBOOJAJTSVFKQ-ARACNKMWSA-H
MW512.73 g/mol
LogP6.17
Rot. Bonds3

About hexachloroantimony(1-);methyl-phenyl-(propan-2-yloxymethylidene)azanium

hexachloroantimony(1-);methyl-phenyl-(propan-2-yloxymethylidene)azanium (PubChem CID 134919753) has the molecular formula C11H16Cl6NOSb and a molecular weight of 512.73 g/mol. Its IUPAC name is hexachloroantimony(1-);methyl-phenyl-(propan-2-yloxymethylidene)azanium.

Molecular Properties

Compound Namehexachloroantimony(1-);methyl-phenyl-(propan-2-yloxymethylidene)azanium
PubChem CID134919753
Molecular FormulaC11H16Cl6NOSb
Molecular Weight512.73 g/mol
Exact Mass508.84
IUPAC Namehexachloroantimony(1-);methyl-phenyl-(propan-2-yloxymethylidene)azanium
SMILESCC(C)O/C=[N+](\C)c1ccccc1.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl
InChIInChI=1S/C11H16NO.6ClH.Sb/c1-10(2)13-9-12(3)11-7-5-4-6-8-11;;;;;;;/h4-10H,1-3H3;6*1H;/q+1;;;;;;;+5/p-6/b12-9+;;;;;;;
InChIKeyHXBOOJAJTSVFKQ-ARACNKMWSA-H
XLogP6.17
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.73
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-benzylideneamino]oxymethylidene-dimethylazanium;hexachloroantimony(1-)
CID 134919929
propan-2-yl formate;propan-2-yloxybenzene
CID 175545424
[(1R)-1-phenylethyl] formate
CID 76963066
1-bromoethylbenzene
CID 11454
hexachloroantimony(1-);2-phenyl-N-propan-2-ylacetonitrilium
CID 16705027
(Z)-methyl-(2-methylpropylidene)-phenylmethoxycarbonylazanium
CID 135042080
(2R)-2-phenyl-2-propan-2-yloxyacetaldehyde
CID 124578012
methyl 3-phenyl-2,3-di(propan-2-yl)oxirane-2-carboxylate
CID 79299180
2-(2,2-dimethyl-3-propan-2-yloxycyclopropylidene)ethenylbenzene
CID 598598
N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine
CID 114998457
2-methylpropanoyl chloride;toluene
CID 174958428
CID 136680427
CID 136680427

Frequently Asked Questions

What is the IUPAC name of hexachloroantimony(1-);methyl-phenyl-(propan-2-yloxymethylidene)azanium?
The IUPAC name of hexachloroantimony(1-);methyl-phenyl-(propan-2-yloxymethylidene)azanium (CID 134919753) is hexachloroantimony(1-);methyl-phenyl-(propan-2-yloxymethylidene)azanium.
What is the SMILES notation for hexachloroantimony(1-);methyl-phenyl-(propan-2-yloxymethylidene)azanium?
The canonical SMILES for hexachloroantimony(1-);methyl-phenyl-(propan-2-yloxymethylidene)azanium is CC(C)O/C=[N+](\C)c1ccccc1.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl.
What is the InChIKey of hexachloroantimony(1-);methyl-phenyl-(propan-2-yloxymethylidene)azanium?
The InChIKey is HXBOOJAJTSVFKQ-ARACNKMWSA-H. The full InChI is InChI=1S/C11H16NO.6ClH.Sb/c1-10(2)13-9-12(3)11-7-5-4-6-8-11;;;;;;;/h4-10H,1-3H3;6*1H;/q+1;;;;;;;+5/p-6/b12-9+;;;;;;;.
What are the key properties of hexachloroantimony(1-);methyl-phenyl-(propan-2-yloxymethylidene)azanium?
hexachloroantimony(1-);methyl-phenyl-(propan-2-yloxymethylidene)azanium has a molecular weight of 512.73 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexachloroantimony(1-);methyl-phenyl-(propan-2-yloxymethylidene)azanium is sourced from PubChem (CID 134919753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).