butyl(trichloro)stannane;1-hexyl-3-methylimidazol-3-ium

C14H28Cl3N2Sn+ — CID 174940503

IUPACbutyl(trichloro)stannane;1-hexyl-3-methylimidazol-3-ium
SMILESCCCCCCn1cc[n+](C)c1.CCCC[Sn](Cl)(Cl)Cl
InChIInChI=1S/C10H19N2.C4H9.3ClH.Sn/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-3-4-2;;;;/h8-10H,3-7H2,1-2H3;1,3-4H2,2H3;3*1H;/q+1;;;;;+3/p-3
InChIKeyDSUPHGIDXIYNQB-UHFFFAOYSA-K
MW449.46 g/mol
LogP5.33
Rot. Bonds8

About butyl(trichloro)stannane;1-hexyl-3-methylimidazol-3-ium

butyl(trichloro)stannane;1-hexyl-3-methylimidazol-3-ium (PubChem CID 174940503) has the molecular formula C14H28Cl3N2Sn+ and a molecular weight of 449.46 g/mol. Its IUPAC name is butyl(trichloro)stannane;1-hexyl-3-methylimidazol-3-ium.

Molecular Properties

Compound Namebutyl(trichloro)stannane;1-hexyl-3-methylimidazol-3-ium
PubChem CID174940503
Molecular FormulaC14H28Cl3N2Sn+
Molecular Weight449.46 g/mol
Exact Mass449.03
IUPAC Namebutyl(trichloro)stannane;1-hexyl-3-methylimidazol-3-ium
SMILESCCCCCCn1cc[n+](C)c1.CCCC[Sn](Cl)(Cl)Cl
InChIInChI=1S/C10H19N2.C4H9.3ClH.Sn/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-3-4-2;;;;/h8-10H,3-7H2,1-2H3;1,3-4H2,2H3;3*1H;/q+1;;;;;+3/p-3
InChIKeyDSUPHGIDXIYNQB-UHFFFAOYSA-K
XLogP5.33
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.46
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-decyl-3-methylimidazol-3-ium hydroxide
CID 162364634
1-heptyl-3-methylimidazol-3-ium chloride
CID 87431779
1-methyl-3-nonadecylimidazol-1-ium chloride
CID 10452646
1-icosyl-3-methylimidazol-3-ium bromide
CID 141143655
1-dotetracontyl-3-methylimidazol-3-ium chloride
CID 141281431
1-methyl-3-pentylimidazol-1-ium iodide
CID 11403236
1-dodecyl-3-methylimidazol-3-ium tetrafluoroborate
CID 46226173
1-decyl-3-methylimidazol-3-ium;rhodium;tetrafluoroborate
CID 11269922
heptakis(1-hexyl-3-methylimidazol-3-ium);borate;tetrafluoride
CID 175093615
1-butyl-3-methylimidazol-3-ium;chloroplatinum
CID 175008486
1-butyl-3-methylimidazol-3-ium;tetrahydrate
CID 175081123
1-methyl-3-(6-tridecylsulfanylhexyl)imidazol-1-ium
CID 102360501

Frequently Asked Questions

What is the IUPAC name of butyl(trichloro)stannane;1-hexyl-3-methylimidazol-3-ium?
The IUPAC name of butyl(trichloro)stannane;1-hexyl-3-methylimidazol-3-ium (CID 174940503) is butyl(trichloro)stannane;1-hexyl-3-methylimidazol-3-ium.
What is the SMILES notation for butyl(trichloro)stannane;1-hexyl-3-methylimidazol-3-ium?
The canonical SMILES for butyl(trichloro)stannane;1-hexyl-3-methylimidazol-3-ium is CCCCCCn1cc[n+](C)c1.CCCC[Sn](Cl)(Cl)Cl.
What is the InChIKey of butyl(trichloro)stannane;1-hexyl-3-methylimidazol-3-ium?
The InChIKey is DSUPHGIDXIYNQB-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H19N2.C4H9.3ClH.Sn/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-3-4-2;;;;/h8-10H,3-7H2,1-2H3;1,3-4H2,2H3;3*1H;/q+1;;;;;+3/p-3.
What are the key properties of butyl(trichloro)stannane;1-hexyl-3-methylimidazol-3-ium?
butyl(trichloro)stannane;1-hexyl-3-methylimidazol-3-ium has a molecular weight of 449.46 g/mol, XLogP of 5.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(trichloro)stannane;1-hexyl-3-methylimidazol-3-ium is sourced from PubChem (CID 174940503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).