dibutyl-chloro-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannane

C19H38ClN2Sn+ — CID 50993122

IUPACdibutyl-chloro-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannane
SMILESCCCC[Sn](Cl)(CCCC)CCCCCC[n+]1ccn(CC)c1
InChIInChI=1S/C11H20N2.2C4H9.ClH.Sn/c1-3-5-6-7-8-13-10-9-12(4-2)11-13;2*1-3-4-2;;/h9-11H,1,3-8H2,2H3;2*1,3-4H2,2H3;1H;/q+1;;;;+1/p-1
InChIKeyJYUXEEKEEGAVQJ-UHFFFAOYSA-M
MW448.69 g/mol
LogP6.14
Rot. Bonds14

About dibutyl-chloro-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannane

dibutyl-chloro-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannane (PubChem CID 50993122) has the molecular formula C19H38ClN2Sn+ and a molecular weight of 448.69 g/mol. Its IUPAC name is dibutyl-chloro-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannane.

Molecular Properties

Compound Namedibutyl-chloro-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannane
PubChem CID50993122
Molecular FormulaC19H38ClN2Sn+
Molecular Weight448.69 g/mol
Exact Mass449.17
IUPAC Namedibutyl-chloro-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannane
SMILESCCCC[Sn](Cl)(CCCC)CCCCCC[n+]1ccn(CC)c1
InChIInChI=1S/C11H20N2.2C4H9.ClH.Sn/c1-3-5-6-7-8-13-10-9-12(4-2)11-13;2*1-3-4-2;;/h9-11H,1,3-8H2,2H3;2*1,3-4H2,2H3;1H;/q+1;;;;+1/p-1
InChIKeyJYUXEEKEEGAVQJ-UHFFFAOYSA-M
XLogP6.14
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.69
LogP ≤ 56.14
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-ethyl-3-nonadecylimidazol-3-ium
CID 87810884
1-ethyl-3-undecylimidazol-3-ium
CID 87807837
1-butyl-3-ethylimidazol-1-ium
CID 10313448
(E)-4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]-2-methylbut-3-en-2-ol
CID 71762146
[4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]phenyl]methanamine bromide
CID 140799099
1-docosyl-3-octadecylimidazol-1-ium
CID 102417147
1-hexadecyl-3-tridecylimidazol-3-ium
CID 87897288
1-dodecyl-3-undecylimidazol-3-ium
CID 87811099
1-tetradecyl-3-[6-(3-tetradecylimidazol-3-ium-1-yl)hexyl]imidazol-1-ium
CID 102416106
1-icosyl-3-nonadecylimidazol-3-ium
CID 146315901
1-butyl-3-nonadecylimidazol-3-ium
CID 87809769
1-pentyl-3-tridecylimidazol-1-ium
CID 87806959

Frequently Asked Questions

What is the IUPAC name of dibutyl-chloro-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannane?
The IUPAC name of dibutyl-chloro-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannane (CID 50993122) is dibutyl-chloro-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannane.
What is the SMILES notation for dibutyl-chloro-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannane?
The canonical SMILES for dibutyl-chloro-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannane is CCCC[Sn](Cl)(CCCC)CCCCCC[n+]1ccn(CC)c1.
What is the InChIKey of dibutyl-chloro-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannane?
The InChIKey is JYUXEEKEEGAVQJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H20N2.2C4H9.ClH.Sn/c1-3-5-6-7-8-13-10-9-12(4-2)11-13;2*1-3-4-2;;/h9-11H,1,3-8H2,2H3;2*1,3-4H2,2H3;1H;/q+1;;;;+1/p-1.
What are the key properties of dibutyl-chloro-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannane?
dibutyl-chloro-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannane has a molecular weight of 448.69 g/mol, XLogP of 6.14, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-chloro-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannane is sourced from PubChem (CID 50993122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).